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    CAS 87269-87-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 87269-87-2, 38hks9c1wm, Benzyl (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride, 1279035-95-8, (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester hydrochloride, Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
    Molecular Formula
    C15H20ClNO2
    Molecular Weight
    281.78  g/mol
    InChI Key
    HLXCXOQXUDRJLF-JKBZPBJLSA-N
    FDA UNII
    38HKS9C1WM
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14-;/m0./s1
    2.1.3 InChI Key
    HLXCXOQXUDRJLF-JKBZPBJLSA-N
    2.1.4 Canonical SMILES
    C1CC2CC(NC2C1)C(=O)OCC3=CC=CC=C3.Cl
    2.1.5 Isomeric SMILES
    C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)OCC3=CC=CC=C3.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    38HKS9C1WM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 87269-87-2

    2. 38hks9c1wm

    3. Benzyl (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate Hydrochloride

    4. 1279035-95-8

    5. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzyl Ester Hydrochloride

    6. Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride

    7. Benzyl (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylate Hydrochloride

    8. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzyl Ester, Hcl

    9. (1s,3s,5s)-2-azabicyclo[3,3,0]octane-3-carborylic Acid Benzyl Ester Hydrochloride

    10. (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic Acid Phenylmethyl Ester Hydrochloride

    11. Cyclopenta(b)pyrrole-2-carboxylic Acid, Octahydro-, Phenylmethyl Ester, Hydrochloride (1:1), (2s,3ar,6ar)-

    12. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzylester Hydrochloride

    13. (2s,3as,6as)-octahydro-cyclopenta[b]pyrrole-2-carboxylic Acid, Benzyl Ester, Hcl

    14. Unii-38hks9c1wm

    15. Schembl1997637

    16. (s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzylester Hydrochloride

    17. Dtxsid501007472

    18. Mfcd04974076

    19. Akos015895588

    20. Cs-w008300

    21. Mg-0725

    22. Db-025243

    23. 269a872

    24. J-502554

    25. Q-200694

    26. (2s,3as,6as)-benzyl Octahydrocyclopenta[b]pyrrole-2-carboxylate Hcl

    27. (2s,3as,6as)-benzyl Octahydrocyclopenta[b]pyrrole-2-carboxylatehydrochloride

    28. (2s,3as,6as)-benzyloctahydrocyclopenta[b]pyrrole-2-carboxylatehydrochloride

    29. Benzyl (s,s,s)-2-azabicyclo[3,3,0]octane-3-carboxylate. Hydrochloride

    30. Benzyl (s,s,s)-2-azabicyclo[3,3,0]octane-3-carboxylate.hydrochloride

    31. Benzyl Octahydrocyclopenta[b]pyrrole-2-carboxylate--hydrogen Chloride (1/1)

    32. (1s,3s,5s)-2-azabicyclo[3,3,0]-octane-3-3-carboxylic Acid Benzyl Ester Hydrochloride

    33. (2s,3as,6as)-benzyl Octahydrocyclopenta-[b]pyrrole-2-carboxylate Hydrochloride

    34. (2s,3as,6as)-benzyl Octahydrocyclopenta-[b]pyrrole-2-carboxylate Hydrochloride

    35. (s,s,s)-2-azabicyclo [3,3,0] Octane-3-carboxylic Acid Benzyl Ester Hydrochloride

    36. (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylic Acid Benzyl Ester Hydrochloride

    37. (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylic Acid, Benzyl Ester, Hydrochloride

    38. Benzyl (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylate Hydrochloride, 97%

    39. Benzyl(2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate Hydrochloride

    40. Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate,hydrochloride

    2.4 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 281.78 g/mol
    Molecular Formula C15H20ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass281.1182566 g/mol
    Monoisotopic Mass281.1182566 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity299
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2