(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

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  • Identifiers

    Molecular formula
    C12H21N3O6

    SMILES
    CC(C)[C@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

  • Odor profile

    Fragrance
    Odorless 70.55%
    Savory 43.47%
    Cooling 27.79%
    Meaty 26.72%
    Milky 20.01%
    Sweet 19.61%
    Fishy 18.77%
    Cooked 18.5%
    Alcoholic 16.56%
    Bitter 14.64%

     

    Flavor
    Odorless 63.95%
    Bitter 46.83%
    Bland 33.6%
    Mild 29.73%
    Very mild 25.74%
    Sweet-like 22.86%
    Yeast 21.79%
    Nitrile 19.36%
    Faint 18.85%
    Taco 18.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.5

    pKa est.
    5.77 (weak acid)

    Molecular weight
    303.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    393°C

    Flash point

    • 279.02 ˚C est.

  • Synonyms

    • NS00121952

  • Applications

    The compound (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid can serve as a pharmaceutical intermediate and a chiral building block for peptide synthesis; it is also evaluated as a biochemical research reagent or enzyme-substrate analog, and may function as a ligand in coordination chemistry or metal-binding studies; additionally, it can be a precursor for polymer-peptide materials or other functionalized monomers for materials science. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.36
    methanol 1.61
    isopropanol 0.2
    water 39.7
    ethyl acetate 0.13
    n-propanol 0.24
    acetone 0.19
    n-butanol 0.18
    acetonitrile 0.12
    DMF 12.57
    toluene 0.06
    isobutanol 0.17
    1,4-dioxane 0.49
    methyl acetate 0.13
    THF 0.7
    2-butanone 0.21
    n-pentanol 0.2
    sec-butanol 0.24
    n-hexane 0.1
    ethylene glycol 5.01
    NMP 28.17
    cyclohexane 0.06
    DMSO 43.06
    n-butyl acetate 0.11
    n-octanol 0.11
    chloroform 0.1
    n-propyl acetate 0.12
    acetic acid 5.31
    dichloromethane 0.14
    cyclohexanone 0.78
    propylene glycol 3.56
    isopropyl acetate 0.11
    DMAc 19.29
    2-ethoxyethanol 2.56
    isopentanol 0.19
    n-heptane 0.05
    ethyl formate 0.37
    1,2-dichloroethane 0.12
    n-hexanol 0.2
    2-methoxyethanol 5.62
    isobutyl acetate 0.06
    tetrachloromethane 0.06
    n-pentyl acetate 0.11
    transcutol 3.55
    n-heptanol 0.17
    ethylbenzene 0.08
    MIBK 0.16
    2-propoxyethanol 1.73
    tert-butanol 0.34
    MTBE 0.12
    2-butoxyethanol 0.98
    propionic acid 0.86
    o-xylene 0.12
    formic acid 44.73
    diethyl ether 0.11
    m-xylene 0.07
    p-xylene 0.12
    chlorobenzene 0.04
    dimethyl carbonate 0.49
    n-octane 0.03
    formamide 22.49
    cyclopentanone 0.96
    2-pentanone 0.19
    anisole 0.15
    cyclopentyl methyl ether 0.35
    gamma-butyrolactone 1.61
    1-methoxy-2-propanol 2.65
    pyridine 0.41
    3-pentanone 0.23
    furfural 3.88
    n-dodecane 0.01
    diethylene glycol 5.91
    diisopropyl ether 0.05
    tert-amyl alcohol 0.43
    acetylacetone 0.5
    n-hexadecane 0.01
    acetophenone 0.36
    methyl propionate 0.29
    isopentyl acetate 0.13
    trichloroethylene 0.2
    n-nonanol 0.12
    cyclohexanol 0.4
    benzyl alcohol 0.37
    2-ethylhexanol 0.12
    isooctanol 0.13
    dipropyl ether 0.18
    1,2-dichlorobenzene 0.07
    ethyl lactate 0.63
    propylene carbonate 0.85
    n-methylformamide 3.8
    2-pentanol 0.15
    n-pentane 0.04
    1-propoxy-2-propanol 0.96
    1-methoxy-2-propyl acetate 0.49
    2-(2-methoxypropoxy) propanol 1.57
    mesitylene 0.07
    ε-caprolactone 0.92
    p-cymene 0.06
    epichlorohydrin 0.7
    1,1,1-trichloroethane 0.05
    2-aminoethanol 3.65
    morpholine-4-carbaldehyde 12.87
    sulfolane 13.26
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.32
    n-hexyl acetate 0.13
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 1.88
    sec-butyl acetate 0.09
    tert-butyl acetate 0.18
    decalin 0.03
    glycerin 20.46
    diglyme 3.04
    acrylic acid 1.91
    isopropyl myristate 0.05
    n-butyric acid 0.69
    acetyl acetate 0.16
    di(2-ethylhexyl) phthalate 0.2
    ethyl propionate 0.17
    nitromethane 3.25
    1,2-diethoxyethane 0.27
    benzonitrile 0.15
    trioctyl phosphate 0.13
    1-bromopropane 0.06
    gamma-valerolactone 4.6
    n-decanol 0.09
    triethyl phosphate 0.28
    4-methyl-2-pentanol 0.12
    propionitrile 0.09
    vinylene carbonate 0.78
    1,1,2-trichlorotrifluoroethane 5.41
    DMS 0.29
    cumene 0.08
    2-octanol 0.11
    2-hexanone 0.18
    octyl acetate 0.08
    limonene 0.08
    1,2-dimethoxyethane 2.26
    ethyl orthosilicate 0.26
    tributyl phosphate 0.17
    diacetone alcohol 1.17
    N,N-dimethylaniline 0.35
    acrylonitrile 0.21
    aniline 0.22
    1,3-propanediol 2.37
    bromobenzene 0.03
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.27
    2-methyl-cyclohexyl acetate 0.18
    tetrabutyl urea 0.38
    diisobutyl methanol 0.1
    2-phenylethanol 0.26
    styrene 0.06
    dioctyl adipate 0.11
    dimethyl sulfate 2.67
    ethyl butyrate 0.15
    methyl lactate 2.05
    butyl lactate 0.49
    diethyl carbonate 0.12
    propanediol butyl ether 1.61
    triethyl orthoformate 0.26
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 0.62
    morpholine 0.96
    tert-butylamine 0.15
    n-dodecanol 0.07
    dimethoxymethane 1.56
    ethylene carbonate 0.47
    cyrene 4.41
    2-ethoxyethyl acetate 0.23
    2-ethylhexyl acetate 0.1
    1,2,4-trichlorobenzene 0.11
    4-methylpyridine 0.3
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.1
    DEF 1.23
    dimethyl isosorbide 2.66
    tetrachloroethylene 0.28
    eugenol 0.91
    triacetin 0.39
    span 80 1.16
    1,4-butanediol 1.3
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.22
    methyl formate 2.31
    2-methyl-1-butanol 0.23
    n-decane 0.03
    butyronitrile 0.1
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 0.47
    tetrahydropyran 0.21
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 2.94
    1-hexene 0.13
    2-isopropoxyethanol 0.97
    2,2,2-trifluoroethanol 3.92
    methyl butyrate 0.29

    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