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    Chemistry

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    Also known as: 177948-33-3, Methyl 2-amino-2-(1-boc-4-piperidyl)acetate, Mfcd03425223, Methyl2-amino-2-(1-boc-4-piperidyl)acetate, Schembl3640119, Ampd00339
    Molecular Formula
    C13H24N2O4
    Molecular Weight
    272.34  g/mol
    InChI Key
    KCWQYYUIIOHOLI-UHFFFAOYSA-N
    CAS 177948-33-3
    1 2D Structure

    CAS 177948-33-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-9(6-8-15)10(14)11(16)18-4/h9-10H,5-8,14H2,1-4H3
    2.1.3 InChI Key
    KCWQYYUIIOHOLI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCC(CC1)C(C(=O)OC)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 177948-33-3

    2. Methyl 2-amino-2-(1-boc-4-piperidyl)acetate

    3. Mfcd03425223

    4. Methyl2-amino-2-(1-boc-4-piperidyl)acetate

    5. Schembl3640119

    6. Ampd00339

    7. Cha94833

    8. Am9210

    9. Akos016003709

    10. Ab14589

    11. As-32116

    12. Da-06380

    13. Sy014441

    14. Db-075395

    15. Cs-0154750

    16. A881436

    17. 4-piperidineacetic Acid, Alpha-amino-1-[(1,1-dimethylethoxy)carbonyl]-, Methyl Ester

    2.3 Create Date
    2008-02-29
    3 Chemical and Physical Properties
    Molecular Weight 272.34 g/mol
    Molecular Formula C13H24N2O4
    XLogP30.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass272.17360725 g/mol
    Monoisotopic Mass272.17360725 g/mol
    Topological Polar Surface Area81.9 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity330
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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