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    N-Acetyl-Dl-Alanine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 769Xls

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    2D Structure
    Also known as: 1115-69-1, 2-acetamidopropanoic acid, Ac-dl-ala-oh, 2-acetylaminopropionic acid, Acetyl-dl-alanine, 2-acetylamino-propionic acid
    Molecular Formula
    C5H9NO3
    Molecular Weight
    131.13  g/mol
    InChI Key
    KTHDTJVBEPMMGL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    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)
    2.1.3 InChI Key
    KTHDTJVBEPMMGL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)O)NC(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1115-69-1

    2. 2-acetamidopropanoic Acid

    3. Ac-dl-ala-oh

    4. 2-acetylaminopropionic Acid

    5. Acetyl-dl-alanine

    6. 2-acetylamino-propionic Acid

    7. Dl-alanine, N-acetyl-

    8. Mfcd00037238

    9. N-alpha-acetyl-dl-alanine

    10. Alanine, N-acetyl-

    11. N-acetyl-dl-2-aminopropionic Acid

    12. (s)-2-acetamidopropionic Acid

    13. Mfcd00063132

    14. N-acetyl-alanine

    15. Nsc-186892

    16. Nsc-203819

    17. N-acetylalanine #

    18. Einecs 214-229-0

    19. N-acetyl-d,l-alanine

    20. 2-acetamido-propionic Acid

    21. Bmse000157

    22. Schembl330011

    23. L-alanine, N-acetyl- (9ci)

    24. Chebi:170067

    25. Act00054

    26. Alanine, N-acetyl-, L- (8ci)

    27. Nsc43118

    28. Bbl007614

    29. Nsc 43118

    30. Nsc-43118

    31. Nsc186892

    32. Nsc203819

    33. Stk365649

    34. Akos000264080

    35. Akos016050387

    36. Akos032963153

    37. Am81476

    38. Cs-w011105

    39. Fd21049

    40. Hy-w010389

    41. Ncgc00341606-01

    42. As-14822

    43. Sy032572

    44. Sy038273

    45. Db-040989

    46. A0072

    47. Ft-0629809

    48. Ft-0629827

    49. Ft-0688933

    50. Dhp Linker?3,4-dihydro-2h-pyran-2-methanol

    51. Ab01333769-02

    52. A802385

    53. W-108671

    54. Df79ac11-85d4-454b-af98-1752a619becc

    2.3 Create Date
    2005-03-26
    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 Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1