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    N-Acetyl-L-Proline

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 68-95-1, Ac-pro-oh, N-acetylproline, Acetylproline, 1-acetyl-l-proline, Acetyl proline
    Molecular Formula
    C7H11NO3
    Molecular Weight
    157.17  g/mol
    InChI Key
    GNMSLDIYJOSUSW-LURJTMIESA-N
    FDA UNII
    CC8XZ138VZ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-1-acetylpyrrolidine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
    2.1.3 InChI Key
    GNMSLDIYJOSUSW-LURJTMIESA-N
    2.1.4 Canonical SMILES
    CC(=O)N1CCCC1C(=O)O
    2.1.5 Isomeric SMILES
    CC(=O)N1CCC[C@H]1C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    CC8XZ138VZ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 68-95-1

    2. Ac-pro-oh

    3. N-acetylproline

    4. Acetylproline

    5. 1-acetyl-l-proline

    6. Acetyl Proline

    7. Acetyl-l-proline

    8. L-proline, 1-acetyl-

    9. (2s)-1-acetylpyrrolidine-2-carboxylic Acid

    10. (s)-1-acetylpyrrolidine-2-carboxylic Acid

    11. (s)-1-acetyl-pyrrolidine-2-carboxylic Acid

    12. Proline, 1-acetyl-, L-

    13. (s)-n-acetylproline

    14. (s)-(-)-n-acetylproline

    15. Cc8xz138vz

    16. Chebi:21560

    17. Mfcd00020837

    18. N7p

    19. Unii-cc8xz138vz

    20. Acetyl-proline

    21. 4avs

    22. N-acetyl Proline

    23. Nsc-280718

    24. 1-acetylproline #

    25. Einecs 200-698-9

    26. Nsc 280718

    27. Dl-proline, 1-acetyl-

    28. (r)-(+)-acetylproline

    29. Mls000774349

    30. Acetyl Proline [inci]

    31. Schembl358379

    32. Chembl1234599

    33. L-proline, 1-acetyl- (9ci)

    34. Dtxsid00910312

    35. Hms2765i14

    36. Zinc119664

    37. Act08606

    38. Akos000302142

    39. Akos001121369

    40. Am82193

    41. Cs-w004114

    42. Db03360

    43. (s)-acetyl-pyrrolidine-2-carboxylic Acid

    44. Ds-13404

    45. Smr000365399

    46. 020a837

    47. J-300220

    48. N-acetyl-l-proline, Vetec(tm) Reagent Grade, 98%

    49. Q-101648

    50. Q27094301

    51. Z85923459

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 157.17 g/mol
    Molecular Formula C7H11NO3
    XLogP3-0.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass157.07389321 g/mol
    Monoisotopic Mass157.07389321 g/mol
    Topological Polar Surface Area57.6 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity190
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1