Alanylglutamic acid

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  • Identifiers

    CAS number
    13187-90-1

    Molecular formula
    C8H14N2O5

    SMILES
    C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.7%
    Savory 41.59%
    Meaty 29.46%
    Sweet 25.69%
    Cooked 19.99%
    Milky 19.12%
    Fishy 17.38%
    Cooling 16.37%
    Cocoa 15.44%
    Roasted 14.69%

     

    Flavor
    Odorless 70.75%
    Mild 34.29%
    Bland 31.31%
    Bitter 30.78%
    Very mild 30.23%
    Yeast 24.37%
    Sweet-like 23.11%
    Faint 22.29%
    Nitrile 19.48%
    Roasted peanuts 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.8

    pKa est.
    5.32 (weak acid)

    Molecular weight
    218.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    414°C

    Flash point

    • 237.72 ˚C est.

  • Synonyms

    • alanylglutamic acid
    • RefChem:915350
    • Alanine glutamate
    • 13187-90-1
    • l-alanyl-l-glutamic acid
    • Ala-Glu-OH
    • H-Ala-Glu-OH
    • Alanylglutamate
    • L-Alanyl-L-glutamate
    • ALA-GLU
    • (S)-2-((S)-2-aminopropanamido)pentanedioic acid
    • MFCD00025556
    • alanyl-glutamic acid
    • 8D40GXI4MA
    • L-Glutamic acid, N-L-alanyl-
    • (2S)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid
    • L-Ala-L-Glu
    • UNII-8D40GXI4MA
    • (2S)-2-{[(2S)-2-Aminopropanoyl]amino}pentanedioic acid
    • L-Glutamic acid, L-alanyl-
    • AlaGlu
    • AE dipeptide
    • A-E Dipeptide
    • Alanyl glutamic acid
    • L-Alanyl-L-glutaminsaeure
    • Alanine Glutamate dipeptide
    • Alanine-Glutamate dipeptide
    • (2S)-2-[(2S)-2-aminopropanamido]pentanedioic acid
    • orb1705736
    • SCHEMBL2490631
    • CHEMBL2074938
    • CHEBI:61565
    • DTXSID70927376
    • MSK179008
    • AKOS010407205
    • FA47103
    • GLUTAMIC ACID, N-L-ALANYL-, L-
    • BP-41180
    • BS-49057
    • SY286480
    • HY-139468
    • CS-0202275
    • NS00013348
    • C20958
    • N-(2-Amino-1-hydroxypropylidene)glutamic acid
    • Q27131168
    • 13187-90-1

  • Applications

    Alanylglutamic acid is a dipeptide (L-alanyl-L-glutamic acid) primarily used as a building block in peptide synthesis for pharmaceutical and biochemical applications. It serves as an intermediate in the preparation of peptide sequences and related active ingredients. In cosmetics and personal care, it can function as a skin-conditioning dipeptide, evaluated for moisture retention and formulation compatibility. In flavor science and food research, it may be considered for flavor modulation as a source of umami-related dipeptide fragments, subject to regulatory limits and formulation constraints. In analytical chemistry, it is used as a reference standard or calibration component for amino acid and peptide analyses. In industrial manufacturing and biotech R&D, it can act as a precursor for longer peptides or as a substrate in enzymatic studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.73
    methanol 1.77
    isopropanol 0.54
    water 64.71
    ethyl acetate 0.45
    n-propanol 0.46
    acetone 0.84
    n-butanol 0.5
    acetonitrile 0.38
    DMF 73.07
    toluene 0.31
    isobutanol 0.45
    1,4-dioxane 3.22
    methyl acetate 0.37
    THF 2.23
    2-butanone 0.5
    n-pentanol 0.47
    sec-butanol 0.55
    n-hexane 0.4
    ethylene glycol 9.75
    NMP 76.16
    cyclohexane 0.36
    DMSO 83.66
    n-butyl acetate 0.39
    n-octanol 0.34
    chloroform 0.11
    n-propyl acetate 0.33
    acetic acid 5.86
    dichloromethane 0.27
    cyclohexanone 2.69
    propylene glycol 5.76
    isopropyl acetate 0.4
    DMAc 51.18
    2-ethoxyethanol 5.24
    isopentanol 0.57
    n-heptane 0.34
    ethyl formate 1.07
    1,2-dichloroethane 0.31
    n-hexanol 0.55
    2-methoxyethanol 12.42
    isobutyl acetate 0.16
    tetrachloromethane 0.08
    n-pentyl acetate 0.34
    transcutol 7.18
    n-heptanol 0.51
    ethylbenzene 0.37
    MIBK 0.54
    2-propoxyethanol 4.1
    tert-butanol 1.1
    MTBE 0.47
    2-butoxyethanol 2.53
    propionic acid 1.56
    o-xylene 0.75
    formic acid 46.7
    diethyl ether 0.47
    m-xylene 0.41
    p-xylene 0.56
    chlorobenzene 0.12
    dimethyl carbonate 1.62
    n-octane 0.17
    formamide 29.1
    cyclopentanone 2.81
    2-pentanone 0.62
    anisole 0.66
    cyclopentyl methyl ether 1.62
    gamma-butyrolactone 4.75
    1-methoxy-2-propanol 7.1
    pyridine 1.32
    3-pentanone 0.74
    furfural 10.19
    n-dodecane 0.06
    diethylene glycol 12.75
    diisopropyl ether 0.25
    tert-amyl alcohol 1.12
    acetylacetone 1.94
    n-hexadecane 0.07
    acetophenone 1.23
    methyl propionate 0.96
    isopentyl acetate 0.36
    trichloroethylene 0.34
    n-nonanol 0.38
    cyclohexanol 1.43
    benzyl alcohol 1.16
    2-ethylhexanol 0.44
    isooctanol 0.4
    dipropyl ether 0.79
    1,2-dichlorobenzene 0.21
    ethyl lactate 1.38
    propylene carbonate 2.5
    n-methylformamide 10.84
    2-pentanol 0.46
    n-pentane 0.19
    1-propoxy-2-propanol 2.36
    1-methoxy-2-propyl acetate 1.43
    2-(2-methoxypropoxy) propanol 3.8
    mesitylene 0.41
    ε-caprolactone 3.19
    p-cymene 0.32
    epichlorohydrin 1.76
    1,1,1-trichloroethane 0.08
    2-aminoethanol 6.43
    morpholine-4-carbaldehyde 47.72
    sulfolane 25.5
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 1.21
    n-hexyl acetate 0.4
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 4.49
    sec-butyl acetate 0.24
    tert-butyl acetate 0.63
    decalin 0.19
    glycerin 33.16
    diglyme 8.28
    acrylic acid 3.23
    isopropyl myristate 0.2
    n-butyric acid 1.46
    acetyl acetate 0.53
    di(2-ethylhexyl) phthalate 0.57
    ethyl propionate 0.53
    nitromethane 6.11
    1,2-diethoxyethane 0.93
    benzonitrile 0.54
    trioctyl phosphate 0.38
    1-bromopropane 0.14
    gamma-valerolactone 14.93
    n-decanol 0.32
    triethyl phosphate 0.74
    4-methyl-2-pentanol 0.36
    propionitrile 0.26
    vinylene carbonate 2.38
    1,1,2-trichlorotrifluoroethane 7.18
    DMS 0.89
    cumene 0.37
    2-octanol 0.34
    2-hexanone 0.45
    octyl acetate 0.28
    limonene 0.4
    1,2-dimethoxyethane 7.24
    ethyl orthosilicate 0.69
    tributyl phosphate 0.42
    diacetone alcohol 2.96
    N,N-dimethylaniline 1.51
    acrylonitrile 0.6
    aniline 0.71
    1,3-propanediol 4.9
    bromobenzene 0.1
    dibromomethane 0.16
    1,1,2,2-tetrachloroethane 0.45
    2-methyl-cyclohexyl acetate 0.55
    tetrabutyl urea 1.12
    diisobutyl methanol 0.37
    2-phenylethanol 0.77
    styrene 0.29
    dioctyl adipate 0.4
    dimethyl sulfate 7.34
    ethyl butyrate 0.52
    methyl lactate 4.91
    butyl lactate 1.15
    diethyl carbonate 0.39
    propanediol butyl ether 3.52
    triethyl orthoformate 0.75
    p-tert-butyltoluene 0.29
    methyl 4-tert-butylbenzoate 1.79
    morpholine 4.51
    tert-butylamine 0.51
    n-dodecanol 0.27
    dimethoxymethane 6.51
    ethylene carbonate 1.63
    cyrene 9.97
    2-ethoxyethyl acetate 0.73
    2-ethylhexyl acetate 0.32
    1,2,4-trichlorobenzene 0.3
    4-methylpyridine 1.31
    dibutyl ether 0.37
    2,6-dimethyl-4-heptanol 0.37
    DEF 5.57
    dimethyl isosorbide 6.18
    tetrachloroethylene 0.47
    eugenol 2.68
    triacetin 1.06
    span 80 2.95
    1,4-butanediol 2.65
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.51
    methyl formate 6.46
    2-methyl-1-butanol 0.62
    n-decane 0.12
    butyronitrile 0.3
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.14
    1-chlorotetradecane 0.08
    n-nonane 0.13
    undecane 0.08
    tert-butylcyclohexane 0.11
    cyclooctane 0.24
    cyclopentanol 1.38
    tetrahydropyran 0.92
    tert-amyl methyl ether 0.71
    2,5,8-trioxanonane 7.94
    1-hexene 0.42
    2-isopropoxyethanol 2.35
    2,2,2-trifluoroethanol 4.61
    methyl butyrate 0.86

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction