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    Acetylalanine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 97-69-8, Ac-ala-oh, N-acetylalanine, Acetyl-l-alanine, Acetylalanine, L-alanine, n-acetyl-
    Molecular Formula
    C5H9NO3
    Molecular Weight
    131.13  g/mol
    InChI Key
    KTHDTJVBEPMMGL-VKHMYHEASA-N
    FDA UNII
    26C4VY6Z0M
    N-Acetyl-L-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
    (2S)-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-/m0/s1
    2.1.3 InChI Key
    KTHDTJVBEPMMGL-VKHMYHEASA-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
    26C4VY6Z0M
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-acetylalanine

    2.3.2 Depositor-Supplied Synonyms

    1. 97-69-8

    2. Ac-ala-oh

    3. N-acetylalanine

    4. Acetyl-l-alanine

    5. Acetylalanine

    6. L-alanine, N-acetyl-

    7. N-acetyl-s-alanine

    8. (2s)-2-acetamidopropanoic Acid

    9. 2-acetamidopropionic Acid

    10. L-n-acetylalanine

    11. Alanine, N-acetyl-, L-

    12. (s)-2-acetamidopropanoic Acid

    13. S-(-)-n-acetylalanine

    14. N-acetyl-l-alpha-alanine

    15. 26c4vy6z0m

    16. Chebi:40992

    17. (s)-2-(acetylamino)propanoic Acid

    18. Alanine, N-acetyl-

    19. Sudismase

    20. Mfcd00063132

    21. Sudismase [inn]

    22. (s)-2-acetamidopropionic Acid

    23. Unii-26c4vy6z0m

    24. Unii-oz9ya0932i

    25. N-acetyl Alanine

    26. N-acetyl-l-ala

    27. Nsc-186892

    28. (s)-2-acetylamino-propionic Acid

    29. Einecs 202-602-0

    30. Nsc 186892

    31. (s)-n-acetylalanine

    32. N-acetyl-(s)-alanine

    33. Ch3conhch(ch3)cooh

    34. (s)-(-)-n-acetylalanine

    35. N-acetyl-l-.alpha.-alanine

    36. Schembl330009

    37. N-acetyl-l-alanine, ~99%

    38. Oz9ya0932i

    39. Chembl1231115

    40. Dtxsid50861704

    41. Zinc114134

    42. Act00056

    43. (2s)-2-(acetylamino)propanoic Acid

    44. S3094

    45. Akos010366966

    46. Akos015837738

    47. Am81475

    48. Cs-w004066

    49. Db02518

    50. Fd21035

    51. Hy-w004066

    52. 110294-55-8

    53. Ac-19165

    54. As-19296

    55. M03026

    56. 063a132

    57. Q27093502

    58. 139cb1c7-d3cd-42b2-aa12-d5b74ef36071

    59. Aya

    60. N-acetylsuperoxide Dismutase (human Clone Ps 61-10 Copper-zinc Subunit Protein Moiety Reduced)

    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