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    NV 5138

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    2D Structure
    Also known as: Nv-5138, 2095886-80-7, 06ca9qmg6z, ((s)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid, (2s)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid, Pentanoic acid, 2-amino-5,5-difluoro-4,4-dimethyl-, (2s)-
    Molecular Formula
    C7H13F2NO2
    Molecular Weight
    181.18  g/mol
    InChI Key
    HRFIMCJTDKEPPV-BYPYZUCNSA-N
    FDA UNII
    06CA9QMG6Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid
    2.1.2 InChI
    InChI=1S/C7H13F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h4,6H,3,10H2,1-2H3,(H,11,12)/t4-/m0/s1
    2.1.3 InChI Key
    HRFIMCJTDKEPPV-BYPYZUCNSA-N
    2.1.4 Canonical SMILES
    CC(C)(CC(C(=O)O)N)C(F)F
    2.1.5 Isomeric SMILES
    CC(C)(C[C@@H](C(=O)O)N)C(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    06CA9QMG6Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Nv 5138

    2. Nv-5138

    2.3.2 Depositor-Supplied Synonyms

    1. Nv-5138

    2. 2095886-80-7

    3. 06ca9qmg6z

    4. ((s)-2-amino-5,5-difluoro-4,4-dimethylpentanoic Acid

    5. (2s)-2-amino-5,5-difluoro-4,4-dimethylpentanoic Acid

    6. Pentanoic Acid, 2-amino-5,5-difluoro-4,4-dimethyl-, (2s)-

    7. Unii-06ca9qmg6z

    8. Chembl4650303

    9. Schembl18762589

    10. Dtxsid301336354

    11. Ex-a5037

    12. Zinc585143195

    13. Nv-5138?

    14. Hy-114384

    15. Cs-0084893

    16. K94

    2.4 Create Date
    2017-08-04
    3 Chemical and Physical Properties
    Molecular Weight 181.18 g/mol
    Molecular Formula C7H13F2NO2
    XLogP3-1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass181.09143498 g/mol
    Monoisotopic Mass181.09143498 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity171
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1