3-((2-Acetamidoacetyl)amino)propanoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1016788-34-3

    Molecular formula
    C7H12N2O4

    SMILES
    CC(=O)NCC(=O)NCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.6%
    Savory 43.2%
    Meaty 39.04%
    Sweet 27.51%
    Cooked 24.19%
    Roasted 20.07%
    Milky 19.53%
    Fishy 19.45%
    Cheesy 17.49%
    Cooling 17.07%

     

    Flavor
    Odorless 67.19%
    Mild 33.31%
    Very mild 32.99%
    Sour 25.8%
    Yeast 24.83%
    Bland 24.64%
    Nutty 22.41%
    Sweet-like 22.1%
    Faint 22.08%
    Cooked 21.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    6.89 (neutral)

    Molecular weight
    188.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    360°C

    Flash point

    • 226.45 ˚C est.

  • Synonyms

    • 3-[(2-acetamidoacetyl)amino]propanoic acid
    • 3-((2-Acetamidoacetyl)amino)propanoic acid
    • RefChem:488225
    • 816-146-0
    • 1016788-34-3
    • N-Acetylglycyl-beta-alanine
    • 3-(2-ACETAMIDOACETAMIDO)PROPANOIC ACID
    • beta-Alanine, N-acetylglycyl-
    • Ac-Gly-beta-Ala-OH
    • Acetyl Glycyl Beta-Alanine
    • GenoWhite
    • U7YZD9Y59W
    • |A-Alanine, N-acetylglycyl-
    • SCHEMBL15136719
    • DTXSID001335519
    • AKOS000186598
    • F86386
    • 1016788-34-3

  • Applications

    3-((2-Acetamidoacetyl)amino)propanoic acid (CAS 1016788-34-3) is a functional amino acid derivative commonly used as an intermediate in peptide and peptidomimetic synthesis, supporting pharmaceutical and biotech research and development. It also serves as a building block for dipeptide-like structures and conjugates in medicinal chemistry, and as a precursor to functionalized monomers for polymers and biomaterials. Additionally, it is occasionally evaluated for use in cosmetic and personal-care formulations as an amino-acid–derived ingredient. In industrial settings, it is handled as a specialty chemical intermediate with applications in chemical manufacturing workflows, subject to formulation-specific constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.09
    methanol 32.12
    isopropanol 3.42
    water 141.95
    ethyl acetate 0.59
    n-propanol 3.87
    acetone 2.19
    n-butanol 2.07
    acetonitrile 1.4
    DMF 252.21
    toluene 0.1
    isobutanol 2.19
    1,4-dioxane 3.11
    methyl acetate 1.24
    THF 5.79
    2-butanone 1.56
    n-pentanol 1.37
    sec-butanol 2.51
    n-hexane 0.13
    ethylene glycol 19.93
    NMP 138.64
    cyclohexane 0.08
    DMSO 171.05
    n-butyl acetate 0.46
    n-octanol 0.52
    chloroform 0.31
    n-propyl acetate 0.54
    acetic acid 22.69
    dichloromethane 0.58
    cyclohexanone 3.65
    propylene glycol 19.31
    isopropyl acetate 0.39
    DMAc 159.72
    2-ethoxyethanol 14.01
    isopentanol 1.72
    n-heptane 0.06
    ethyl formate 5.33
    1,2-dichloroethane 0.47
    n-hexanol 0.57
    2-methoxyethanol 40.61
    isobutyl acetate 0.28
    tetrachloromethane 0.14
    n-pentyl acetate 0.39
    transcutol 16.5
    n-heptanol 0.42
    ethylbenzene 0.14
    MIBK 0.67
    2-propoxyethanol 5.76
    tert-butanol 4.17
    MTBE 0.74
    2-butoxyethanol 2.85
    propionic acid 6.96
    o-xylene 0.26
    formic acid 116.11
    diethyl ether 0.47
    m-xylene 0.12
    p-xylene 0.25
    chlorobenzene 0.1
    dimethyl carbonate 2.16
    n-octane 0.03
    formamide 107.76
    cyclopentanone 6.19
    2-pentanone 0.89
    anisole 0.71
    cyclopentyl methyl ether 1.16
    gamma-butyrolactone 11.48
    1-methoxy-2-propanol 14.58
    pyridine 1.64
    3-pentanone 0.89
    furfural 22.5
    n-dodecane 0.02
    diethylene glycol 15.31
    diisopropyl ether 0.12
    tert-amyl alcohol 3.66
    acetylacetone 1.66
    n-hexadecane 0.02
    acetophenone 1.35
    methyl propionate 1.58
    isopentyl acetate 0.56
    trichloroethylene 0.65
    n-nonanol 0.5
    cyclohexanol 1.43
    benzyl alcohol 1.5
    2-ethylhexanol 0.36
    isooctanol 0.37
    dipropyl ether 0.44
    1,2-dichlorobenzene 0.2
    ethyl lactate 2.35
    propylene carbonate 5.17
    n-methylformamide 62.73
    2-pentanol 0.76
    n-pentane 0.07
    1-propoxy-2-propanol 2.93
    1-methoxy-2-propyl acetate 1.31
    2-(2-methoxypropoxy) propanol 7.25
    mesitylene 0.13
    ε-caprolactone 4.61
    p-cymene 0.15
    epichlorohydrin 4.24
    1,1,1-trichloroethane 0.15
    2-aminoethanol 25.88
    morpholine-4-carbaldehyde 58.86
    sulfolane 38.48
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 1.89
    n-hexyl acetate 0.64
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.42
    sec-butyl acetate 0.31
    tert-butyl acetate 0.59
    decalin 0.06
    glycerin 53.99
    diglyme 12.94
    acrylic acid 11.3
    isopropyl myristate 0.25
    n-butyric acid 4.2
    acetyl acetate 0.55
    di(2-ethylhexyl) phthalate 1.1
    ethyl propionate 0.7
    nitromethane 26.36
    1,2-diethoxyethane 0.99
    benzonitrile 0.93
    trioctyl phosphate 0.57
    1-bromopropane 0.22
    gamma-valerolactone 24.0
    n-decanol 0.35
    triethyl phosphate 1.09
    4-methyl-2-pentanol 0.47
    propionitrile 1.1
    vinylene carbonate 5.6
    1,1,2-trichlorotrifluoroethane 14.32
    DMS 1.16
    cumene 0.17
    2-octanol 0.28
    2-hexanone 0.71
    octyl acetate 0.36
    limonene 0.21
    1,2-dimethoxyethane 17.86
    ethyl orthosilicate 0.9
    tributyl phosphate 0.88
    diacetone alcohol 3.37
    N,N-dimethylaniline 1.41
    acrylonitrile 2.38
    aniline 0.65
    1,3-propanediol 17.75
    bromobenzene 0.07
    dibromomethane 0.29
    1,1,2,2-tetrachloroethane 0.77
    2-methyl-cyclohexyl acetate 0.77
    tetrabutyl urea 2.02
    diisobutyl methanol 0.3
    2-phenylethanol 0.67
    styrene 0.12
    dioctyl adipate 0.81
    dimethyl sulfate 10.46
    ethyl butyrate 0.66
    methyl lactate 7.05
    butyl lactate 1.72
    diethyl carbonate 0.66
    propanediol butyl ether 6.18
    triethyl orthoformate 0.93
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 2.34
    morpholine 7.43
    tert-butylamine 1.33
    n-dodecanol 0.25
    dimethoxymethane 12.39
    ethylene carbonate 3.47
    cyrene 12.29
    2-ethoxyethyl acetate 0.85
    2-ethylhexyl acetate 0.42
    1,2,4-trichlorobenzene 0.32
    4-methylpyridine 1.67
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.3
    DEF 8.23
    dimethyl isosorbide 9.38
    tetrachloroethylene 0.57
    eugenol 3.47
    triacetin 1.84
    span 80 3.45
    1,4-butanediol 7.45
    1,1-dichloroethane 0.17
    2-methyl-1-pentanol 1.28
    methyl formate 32.03
    2-methyl-1-butanol 2.01
    n-decane 0.04
    butyronitrile 1.06
    3,7-dimethyl-1-octanol 0.49
    1-chlorooctane 0.1
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.05
    cyclooctane 0.04
    cyclopentanol 2.91
    tetrahydropyran 1.01
    tert-amyl methyl ether 0.93
    2,5,8-trioxanonane 11.28
    1-hexene 0.26
    2-isopropoxyethanol 4.29
    2,2,2-trifluoroethanol 12.32
    methyl butyrate 1.65

    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