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    CAS 102849-49-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 102849-49-0, (s)-2-(2-oxopyrrolidin-1-yl)butanoic acid, Levetiracetam acid, (-)-, 2-(2-oxopyrrolidin-1-yl)butanoic acid, (2s)-, 2-pyrrolidinone-n-butyric acid, Ucb-l 057
    Molecular Formula
    C8H13NO3
    Molecular Weight
    171.19  g/mol
    InChI Key
    IODGAONBTQRGGG-LURJTMIESA-N
    FDA UNII
    S19061909R
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
    2.1.2 InChI
    InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
    2.1.3 InChI Key
    IODGAONBTQRGGG-LURJTMIESA-N
    2.1.4 Canonical SMILES
    CCC(C(=O)O)N1CCCC1=O
    2.1.5 Isomeric SMILES
    CC[C@@H](C(=O)O)N1CCCC1=O
    2.2 Other Identifiers
    2.2.1 UNII
    S19061909R
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 102849-49-0

    2. (s)-2-(2-oxopyrrolidin-1-yl)butanoic Acid

    3. Levetiracetam Acid, (-)-

    4. 2-(2-oxopyrrolidin-1-yl)butanoic Acid, (2s)-

    5. 2-pyrrolidinone-n-butyric Acid

    6. Ucb-l 057

    7. S19061909r

    8. (s)-2-(2-oxo-pyrrolidin-1-yl)-butyric Acid

    9. (s)-alpha-ethyl-2-oxo-1-pyrrolidineacetic Acid

    10. (s)-levetiracetam Acid

    11. 1-pyrrolidineacetic Acid, Alpha-ethyl-2-oxo-, (alphas)-

    12. (2s)-2-(2-oxopyrrolidin-1-yl)butanoicacid

    13. Unii-s19061909r

    14. Chembl1287

    15. Levetiracetam Impurity, Levetiracetam Acid- [usp]

    16. Schembl1877216

    17. Dtxsid00145541

    18. Chebi:143418

    19. Mfcd08272027

    20. Zinc13559003

    21. Akos006285768

    22. Akos015841982

    23. Ac-1460

    24. (2s)-2-(2-oxopyrrolizino)butyric Acid

    25. As-64846

    26. (s)-2-(2-oxopyrrolidin-1-yl)butanoicacid

    27. Db-005503

    28. (s)-2-(2-oxopyrrolidin-1-yl) Butyric Acid

    29. (2s)-2-(2-oxo-1-pyrrolidinyl)butanoic Acid

    30. (s)-alpha-ethyl-2-oxo Pyrrolidine Acetic Acid

    31. 833o723

    32. 849o490

    33. A800630

    34. J-501010

    35. Q27288442

    36. (s)-2-(2-oxopyrrolidin-1-yl)butanoic Acid, C~8~h~13~no~3~

    37. 1-pyrrolidineacetic Acid, .alpha.-ethyl-2-oxo-, (.alpha.s)-

    38. Levetiracetam Impurity, Levetiracetam Acid- [usp Impurity]

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 171.19 g/mol
    Molecular Formula C8H13NO3
    XLogP30.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass171.08954328 g/mol
    Monoisotopic Mass171.08954328 g/mol
    Topological Polar Surface Area57.6 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity203
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1