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    N-Acetyl-D-Alanine

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 7,688Xls

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    2D Structure
    Also known as: 19436-52-3, Ac-d-ala-oh, (r)-2-acetamidopropanoic acid, (2r)-2-acetamidopropanoic acid, Acetyl-d-alanine, Iie41sbq9l
    Molecular Formula
    C5H9NO3
    Molecular Weight
    131.13  g/mol
    InChI Key
    KTHDTJVBEPMMGL-GSVOUGTGSA-N
    FDA UNII
    IIE41SBQ9L
    N-Acetyl-D-alanine is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-acetamidopropanoic acid
    2.1.2 InChI
    InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m1/s1
    2.1.3 InChI Key
    KTHDTJVBEPMMGL-GSVOUGTGSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)O)NC(=O)C
    2.1.5 Isomeric SMILES
    C[C@H](C(=O)O)NC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    IIE41SBQ9L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 19436-52-3

    2. Ac-d-ala-oh

    3. (r)-2-acetamidopropanoic Acid

    4. (2r)-2-acetamidopropanoic Acid

    5. Acetyl-d-alanine

    6. Iie41sbq9l

    7. D-alanine, N-acetyl-

    8. N-acetyl-d-ala

    9. Nsc-203819

    10. (r)-2-acetylamino-propionic Acid

    11. Einecs 243-066-8

    12. N-acetyl D-alanine

    13. D-alanine,n-acetyl-

    14. Unii-iie41sbq9l

    15. Schembl330308

    16. Chembl143309

    17. (r)-2-acetamido-propanoic Acid

    18. Alanine, N-acetyl-, D-

    19. Dtxsid101315865

    20. Zinc114138

    21. (r)-(+)-n-acetylalanine

    22. Mfcd00063133

    23. Akos016842909

    24. Am81474

    25. Cs-w013429

    26. Fd21057

    27. Hy-w012713

    28. Nsc 203819

    29. Ds-15979

    30. N-alpha-acetyl-d-alanine (ac-d-ala-oh)

    31. A813726

    32. J-012586

    2.4 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 131.13 g/mol
    Molecular Formula C5H9NO3
    XLogP3-0.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass131.058243149 g/mol
    Monoisotopic Mass131.058243149 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity132
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1