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    CAS 103201-78-1

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 103201-78-1, (2s,4s)-4-cyclohexylpyrrolidine-2-carboxylic acid, H-chpro-oh, 130092-20-5, L-proline, 4-cyclohexyl-, (4s)-, (4s)-4-cyclohexyl-l-proline
    Molecular Formula
    C11H19NO2
    Molecular Weight
    197.27  g/mol
    InChI Key
    XRZWVSXEDRYQGC-ZJUUUORDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
    2.1.3 InChI Key
    XRZWVSXEDRYQGC-ZJUUUORDSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)C2CC(NC2)C(=O)O
    2.1.5 Isomeric SMILES
    C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 103201-78-1

    2. (2s,4s)-4-cyclohexylpyrrolidine-2-carboxylic Acid

    3. H-chpro-oh

    4. 130092-20-5

    5. L-proline, 4-cyclohexyl-, (4s)-

    6. (4s)-4-cyclohexyl-l-proline

    7. (2s,4s)-4-cyclohexyl-pyrrolidine-2-carboxylic Acid

    8. Mfcd08061929

    9. 4beta-cyclohexyl-l-proline

    10. Ec 600-406-3

    11. Schembl2238814

    12. Chembl4091905

    13. (trans)-4-cyclohexyl-l-proline

    14. Dtxsid70431160

    15. Ac8034

    16. Zinc21984673

    17. Akos006287624

    18. Akos015840728

    19. Ac-7636

    20. Ds-13893

    21. Cs-0042526

    22. En300-91503

    23. Trans-4-cyclohexylpyrrolidine-2-carboxylicacid

    24. Trans-4-cyclohexylpyrrolidine-2-carboxylic Acid

    25. 201c781

    26. A800690

    27. Q-102535

    28. Q27464420

    29. 4-cyclohexylpyrrolidine-2-carboxylic Acid;trans-4-cyclohexyl-l-proline

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 197.27 g/mol
    Molecular Formula C11H19NO2
    XLogP30.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass197.141578849 g/mol
    Monoisotopic Mass197.141578849 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity211
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1