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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 4829-14-5, (4r)-4-methyl-1,3-oxazolidine-2,5-dione, D-alaninen-carboxy anhydride, (r)-4-methyl-oxazolidine-2,5-dione, Mfcd03411277, D-alaninen-carboxyanhydride
    Molecular Formula
    C4H5NO3
    Molecular Weight
    115.09  g/mol
    InChI Key
    DTETYCNJKAUROO-UWTATZPHSA-N
    (R)-4-Methyloxazolidine-2,5-dione
    1 2D Structure

    (R)-4-Methyloxazolidine-2,5-dione

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R)-4-methyl-1,3-oxazolidine-2,5-dione
    2.1.2 InChI
    InChI=1S/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)/t2-/m1/s1
    2.1.3 InChI Key
    DTETYCNJKAUROO-UWTATZPHSA-N
    2.1.4 Canonical SMILES
    CC1C(=O)OC(=O)N1
    2.1.5 Isomeric SMILES
    C[C@@H]1C(=O)OC(=O)N1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4829-14-5

    2. (4r)-4-methyl-1,3-oxazolidine-2,5-dione

    3. D-alaninen-carboxy Anhydride

    4. (r)-4-methyl-oxazolidine-2,5-dione

    5. Mfcd03411277

    6. D-alaninen-carboxyanhydride

    7. D-alanine N-carboxyanhydride

    8. Schembl16317106

    9. Akos016844299

    10. Ds-6751

    11. Fd21044

    12. A923648

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 115.09 g/mol
    Molecular Formula C4H5NO3
    XLogP3-0.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area55.4
    Heavy Atom Count8
    Formal Charge0
    Complexity142
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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