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    CAS 75885-58-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 75885-58-4, (s)-(+)-2,2-dimethylcyclopropanecarboxamide, (s)-(+)-2,2-dimethylcyclopropane carboxamide, (1s)-2,2-dimethylcyclopropane-1-carboxamide, (s)-(+)-2,2,-dimethylcyclopropane carboxamide, (s)-(r)-(+)-2,2-dimethyl cyclopropane carboxamide
    Molecular Formula
    C6H11NO
    Molecular Weight
    113.16  g/mol
    InChI Key
    YBZQRYWKYBZZNT-SCSAIBSYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-2,2-dimethylcyclopropane-1-carboxamide
    2.1.2 InChI
    InChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m1/s1
    2.1.3 InChI Key
    YBZQRYWKYBZZNT-SCSAIBSYSA-N
    2.1.4 Canonical SMILES
    CC1(CC1C(=O)N)C
    2.1.5 Isomeric SMILES
    CC1(C[C@@H]1C(=O)N)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 75885-58-4

    2. (s)-(+)-2,2-dimethylcyclopropanecarboxamide

    3. (s)-(+)-2,2-dimethylcyclopropane Carboxamide

    4. (1s)-2,2-dimethylcyclopropane-1-carboxamide

    5. (s)-(+)-2,2,-dimethylcyclopropane Carboxamide

    6. (s)-(r)-(+)-2,2-dimethyl Cyclopropane Carboxamide

    7. (1s)-2,2-dimethylcyclopropanecarboxamide

    8. (s)-(+)-2,2-dimethylcyclo-propane Carboxamide

    9. Cyclopropanecarboxamide, 2,2-dimethyl-, (1s)-

    10. (s)-2,2-dimethylcyclopropane-1-carboxamide

    11. (s)-2,2-dimethyl-cyclopropanecarboxylic Acid Amide

    12. Mfcd00216614

    13. Einecs 278-334-3

    14. Schembl238946

    15. Zinc158275

    16. Akos006238138

    17. Akos015842157

    18. Cs-w013652

    19. (1s)-2,2-dimethylcyclopropancarboxamide

    20. (s)-2,2-dimethyl Cyclopropanecarboxamid

    21. (s)-2,2-dimethylcyclopropane Carboxamide

    22. Ts-01574

    23. (1s)-2,2-dimethylcyclo-propanecarboxamide

    24. (s) 2,2-dimethyl Cyclopropane Carboxamide

    25. A9635

    26. D3676

    27. S-(+)-2,2-dimethyl Cyclopropane Carboxamide

    28. (

    29. S

    30. )-(+)-22-dimethylcyclopropanecarboxamide

    31. S-(+)-2,2-dimethylcyclopropane-1-carboxamide

    32. (s)-(+)-2,2-dimethyl Cyclopropane Carboxamide

    33. 885d584

    34. (s)-(+)-2,2-dimethylcyclopropanecarboxamide, 98%

    35. W-104385

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 113.16 g/mol
    Molecular Formula C6H11NO
    XLogP30.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass113.084063974 g/mol
    Monoisotopic Mass113.084063974 g/mol
    Topological Polar Surface Area43.1 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity129
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1