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    N-Acetyl-L-Valine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 491Xls

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    2D Structure
    Also known as: 96-81-1, Ac-val-oh, N-acetylvaline, Acetyl-l-valine, Acetylvaline, L-valine, n-acetyl-
    Molecular Formula
    C7H13NO3
    Molecular Weight
    159.18  g/mol
    InChI Key
    IHYJTAOFMMMOPX-LURJTMIESA-N
    FDA UNII
    U83P7H9HV3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-acetamido-3-methylbutanoic acid
    2.1.2 InChI
    InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1
    2.1.3 InChI Key
    IHYJTAOFMMMOPX-LURJTMIESA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)O)NC(=O)C
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](C(=O)O)NC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    U83P7H9HV3
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acetyl-val

    2. N-acetyl-d,l-valine

    3. N-acetyl-dl-valine

    4. N-acetylvaline

    5. N-acetylvaline, (d)-isomer

    6. N-acetylvaline, (l)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 96-81-1

    2. Ac-val-oh

    3. N-acetylvaline

    4. Acetyl-l-valine

    5. Acetylvaline

    6. L-valine, N-acetyl-

    7. (s)-2-acetamido-3-methylbutanoic Acid

    8. (2s)-2-acetamido-3-methylbutanoic Acid

    9. N-acetyl Valine

    10. Valine, N-acetyl-, L-

    11. U83p7h9hv3

    12. N-acetyl-valine

    13. Unii-u83p7h9hv3

    14. Mfcd00066066

    15. N-acyl-valine

    16. Einecs 202-537-8

    17. Ac-l-val-oh

    18. Ac-val

    19. L-n-acetylvaline

    20. Schembl132349

    21. S-(-)-n-acetylvaline

    22. Chebi:21565

    23. Dtxsid40914697

    24. Hms1719j05

    25. Zinc399365

    26. Einecs 221-321-4

    27. Akos001078320

    28. Akos015837737

    29. Am82366

    30. Cs-w016182

    31. Gs-3342

    32. Hy-w015466

    33. Nsc 122016

    34. (s)-2-acetylamino-3-methylbutyric Acid

    35. Ncgc00323030-01

    36. Ts-03593

    37. N-alpha-actetyl-l-valine (ac-l-val-oh)

    38. A-1897

    39. O10207

    40. Ab01318387-02

    41. J-300293

    42. W-100131

    43. Q27290813

    44. Z57032483

    2.4 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 159.18 g/mol
    Molecular Formula C7H13NO3
    XLogP30
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass159.08954328 g/mol
    Monoisotopic Mass159.08954328 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity165
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1