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    CAS 16652-71-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 16652-71-4, H-pro-obzl.hcl, L-proline benzyl ester hcl, Benzyl l-prolinate hydrochloride, (s)-benzyl pyrrolidine-2-carboxylate hydrochloride, Proline, phenylmethyl ester, hydrochloride
    Molecular Formula
    C12H16ClNO2
    Molecular Weight
    241.71  g/mol
    InChI Key
    NEDMOHHWRPHBAL-MERQFXBCSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H/t11-;/m0./s1
    2.1.3 InChI Key
    NEDMOHHWRPHBAL-MERQFXBCSA-N
    2.1.4 Canonical SMILES
    C1CC(NC1)C(=O)OCC2=CC=CC=C2.Cl
    2.1.5 Isomeric SMILES
    C1C[C@H](NC1)C(=O)OCC2=CC=CC=C2.Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Proline Benzyl Ester

    2. Proline Benzyl Ester Hydrochloride

    2.2.2 Depositor-Supplied Synonyms

    1. 16652-71-4

    2. H-pro-obzl.hcl

    3. L-proline Benzyl Ester Hcl

    4. Benzyl L-prolinate Hydrochloride

    5. (s)-benzyl Pyrrolidine-2-carboxylate Hydrochloride

    6. Proline, Phenylmethyl Ester, Hydrochloride

    7. L-proline Benzyl Ester, Hcl

    8. 60668-01-1

    9. H-pro-obzl

    10. Benzyl (2s)-pyrrolidine-2-carboxylate;hydrochloride

    11. Benzyl (2s)-pyrrolidin-1-ium-2-carboxylate;chloride

    12. Mfcd00039002

    13. L-proline, Phenylmethyl Ester, Hydrochloride

    14. Pro-obzl.hcl

    15. Pro-obn.hcl

    16. Hcl H-pro-obzl

    17. H-pro-obn-hcl

    18. H-pro-obn.hcl

    19. Pro-obn Hydrochloride

    20. Proline Benzyl Ester Hcl

    21. Schembl630516

    22. Benzyl (2s)-pyrrolidine-2-carboxylate Hydrochloride

    23. (s)-benzyl Pyrrolidine-2-carboxylate Hcl

    24. Proline Benzylester Hydrochloride

    25. Proline Benzyl Ester Hydrochloride

    26. Dtxsid001347023

    27. L-proline Benzylester Hydrochloride

    28. Act07326

    29. L-proline Benzylester Hydro Chloride

    30. L-proline-benzyl Ester Hydrochloride

    31. L-proline, Benzyl Ester Hydrochloride

    32. Akos015848474

    33. Akos015889662

    34. L-proline-o-benzyl Ester Hydrochloride

    35. (l)-proline Benzyl Ester Hydrochloride

    36. Am82201

    37. Cs-w012787

    38. L-proline Benzyl Ester Hydrochloric Acid

    39. Benzyl(s)-pyrrolidine-2-carboxylate Hcl

    40. L-proline Benzyl Ester Hydrochloride Salt

    41. Ac-19233

    42. As-12118

    43. Benzyl (s)-pyrrolidine-2-carboxylate Hcl

    44. L-proline Benzyl Ester Hydrochloride, 98%

    45. P1727

    46. I11506

    47. M02957

    48. W12068

    49. L-proline, Phenylmethyl Ester, Hydrochloride Salt

    50. 652p714

    51. W-107922

    52. L-proline, Phenylmethyl Ester, Monohydrochloride Salt

    53. F0001-0607

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 241.71 g/mol
    Molecular Formula C12H16ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass241.0869564 g/mol
    Monoisotopic Mass241.0869564 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity212
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2