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    CAS 85909-08-6

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    CAS 85909-08-6
    Also known as: 85909-08-6, 1-(tert-butoxycarbonyl)-2-pyrrolidinone, Tert-butyl 2-oxo-1-pyrrolidinecarboxylate, N-boc-2-pyrrolidinone, 1-boc-2-pyrrolidinone, N-boc-pyrrolidone
    Molecular Formula
    C9H15NO3
    Molecular Weight
    185.22  g/mol
    InChI Key
    GJJYYMXBCYYXPQ-UHFFFAOYSA-N
    FDA UNII
    9GS4FVG7EW
    1 2D Structure

    CAS 85909-08-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 2-oxopyrrolidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3
    2.1.3 InChI Key
    GJJYYMXBCYYXPQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCCC1=O
    2.2 Other Identifiers
    2.2.1 UNII
    9GS4FVG7EW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 85909-08-6

    2. 1-(tert-butoxycarbonyl)-2-pyrrolidinone

    3. Tert-butyl 2-oxo-1-pyrrolidinecarboxylate

    4. N-boc-2-pyrrolidinone

    5. 1-boc-2-pyrrolidinone

    6. N-boc-pyrrolidone

    7. N-boc-2-oxopyrrolidine

    8. 1-boc-2-oxopyrrolidine

    9. Nsc662770

    10. 9gs4fvg7ew

    11. 1-pyrrolidinecarboxylic Acid, 2-oxo-, 1,1-dimethylethyl Ester

    12. 1,1-dimethylethyl 2-oxo-1-pyrrolidinecarboxylate

    13. Mfcd00674099

    14. Nsc-662770

    15. 2-oxo-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

    16. Nsc 662770

    17. Tert-butyl2-oxopyrrolidine-1-carboxylate

    18. 1-(tert-butoxycarbonyl)-2-oxopyrrolidine

    19. 1-pyrrolidinecarboxylicacid, 2-oxo-, 1,1-dimethylethyl Ester

    20. Unii-9gs4fvg7ew

    21. Schembl205421

    22. 1-boc-pyrrolidin-2-one

    23. Chembl1996540

    24. Dtxsid60235235

    25. Act05907

    26. Bcp32535

    27. Cs-m1641

    28. Zinc4977458

    29. 1-(t-butoxycarbonyl)-2-pyrrolidinone

    30. Akos015841632

    31. N-boc-1-azacyclopentan-2-one

    32. N-tert-butoxycarbonyl-2-oxopyrrolidine

    33. Ab06934

    34. N-tert-butyloxycarbonyl-2-pyrrolidinone

    35. Ss-3403

    36. Tert-butyl Oxopyrrolidine-1-carboxylate

    37. 1-(tert-butoxy)carbonyl-pyrrolidin-2-one

    38. 1-(tert-butoxycarbonyl)pyrrolidine-2-one

    39. Ac-24502

    40. Amy202003282

    41. Nci60_021677

    42. Sy030188

    43. Tert Butyl-2-oxo-1-pyrrolidinecarboxylate

    44. Tert-butyl-2-oxo-1-pyrrolidinecarboxylate

    45. Tert.butyl-2-oxo-1-pyrrolidinecarboxylate

    46. Pyrrolidin-2-one, N-boc Protected

    47. Tert-butyl 2-oxo-pyrrolidine-1-carboxylate

    48. Cs-0181165

    49. Ft-0652511

    50. 1-(tert-butoxycarbonyl)-2-pyrrolidinone, 97%

    51. N-(tert-butoxycarbonyl)pyrrolidin-2-one

    52. 1-(tert-butoxycarbonyl)pyrrolidin-2-one

    53. 2-oxopyrrolidine-1-carboxylic Acid T-butyl Ester

    54. 2-oxo-pyrrolidin-1-carboxylic Acid T-butyl Ester

    55. N-(tert-butyloxycarbonyl)pyrrolidin-2-one

    56. J-524459

    57. 1-pyrrolidinecarboxylicacid,2-oxo-,1,1-dimethylethylester

    58. 2-oxopyrrolidine-1-carboxylic Acid Tert-butyl Ester

    59. Tert-butyl 2-oxopyrrolidine-1-carboxylate;1-boc-2-pyrrolidinone

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 185.22 g/mol
    Molecular Formula C9H15NO3
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass185.10519334 g/mol
    Monoisotopic Mass185.10519334 g/mol
    Topological Polar Surface Area46.6 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity230
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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