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    Chemistry

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    Also known as: Schembl994729, Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
    Molecular Formula
    C14H17N3O3
    Molecular Weight
    275.30  g/mol
    InChI Key
    HYTSWLKLRKLRHK-UHFFFAOYSA-N
    CAS 1192651-49-2
    1 2D Structure

    CAS 1192651-49-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
    2.1.2 InChI
    InChI=1S/C14H17N3O3/c15-13(18)12-7-6-11-8-16(12)14(19)17(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,18)
    2.1.3 InChI Key
    HYTSWLKLRKLRHK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(N2CC1N(C2=O)OCC3=CC=CC=C3)C(=O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl994729

    2. Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 275.30 g/mol
    Molecular Formula C14H17N3O3
    XLogP30.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass275.12699141 g/mol
    Monoisotopic Mass275.12699141 g/mol
    Topological Polar Surface Area75.9 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity395
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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