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    CAS 203661-71-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 203661-71-6, 6-boc-2-oxo-6-aza-spiro[3.4]octane, Mfcd17016202, 6-boc-6-azaspiro[3.4]octan-2-one, 2-oxo-6-aza-spiro[3.4]octane-6-carboxylic acid tert-butyl-ester, 6-n-boc-2-oxo-6-aza-spiro[3.4]octane
    Molecular Formula
    C12H19NO3
    Molecular Weight
    225.28  g/mol
    InChI Key
    WQPZESPYNGQLQA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
    2.1.2 InChI
    InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-5-4-12(8-13)6-9(14)7-12/h4-8H2,1-3H3
    2.1.3 InChI Key
    WQPZESPYNGQLQA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 203661-71-6

    2. 6-boc-2-oxo-6-aza-spiro[3.4]octane

    3. Mfcd17016202

    4. 6-boc-6-azaspiro[3.4]octan-2-one

    5. 2-oxo-6-aza-spiro[3.4]octane-6-carboxylic Acid Tert-butyl-ester

    6. 6-n-boc-2-oxo-6-aza-spiro[3.4]octane

    7. Schembl6114652

    8. Amsp00009

    9. Dtxsid40634989

    10. Bbl103233

    11. Stl557043

    12. Zinc91302550

    13. 2-oxo-6-aza-spiro[3.4]octane-6-carboxylic Acid Tert-butyl Ester

    14. 2-oxo-6-azaspiro[3.4]octane-6-carboxylic Acid 1,1-dimethylethyl Ester

    15. Akos016015812

    16. 6-boc-2-oxo-6-azaspiro[3.4]octane

    17. 6-boc-6-azaspiro[3.4]octane-2-one

    18. Pb27101

    19. Ss-4905

    20. Ac-32014

    21. Am803478

    22. Da-25728

    23. Sy097230

    24. Cs-0036797

    25. Ft-0703214

    26. Au-004/43508422

    27. Tert-butyl2-oxo-6-azaspiro[3.4]octane-6-carboxylate

    28. Tert-butyl 2-oxo-6-aza-spiro[3.4]octane-6-carboxylate

    29. 2-oxo-6-aza-spiro[3.4]octane-6-carboxylicacidtert-butylester

    30. Tert-butyl 2-oxo-7-azaspiro[3.4]octane-7-carboxylate

    31. 6-azaspiro[3.4]octane-6-carboxylic Acid,2-oxo-,1,1-dimethylethyl Ester

    32. 6-azaspiro[3.4]octane-6-carboxylic Acid, 2-oxo-, 1,1-dimethylethyl Ester

    2.3 Create Date
    2007-12-06
    3 Chemical and Physical Properties
    Molecular Weight 225.28 g/mol
    Molecular Formula C12H19NO3
    XLogP30.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass225.13649347 g/mol
    Monoisotopic Mass225.13649347 g/mol
    Topological Polar Surface Area46.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity322
    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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