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    Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate HCl

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    2D Structure
    Also known as: 565456-77-1, 848777-68-4, (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid methyl ester hydrochloride, Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride, (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid methyl ester hydrochloride, 33arm3z735
    Molecular Formula
    C9H16ClNO2
    Molecular Weight
    205.68  g/mol
    InChI Key
    FKVUDBWXNAFSPB-MKXDVQRUSA-N
    FDA UNII
    33ARM3Z735
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H/t5-,6-,7-;/m0./s1
    2.1.3 InChI Key
    FKVUDBWXNAFSPB-MKXDVQRUSA-N
    2.1.4 Canonical SMILES
    CC1(C2C1C(NC2)C(=O)OC)C.Cl
    2.1.5 Isomeric SMILES
    CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)OC)C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    33ARM3Z735
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 565456-77-1

    2. 848777-68-4

    3. (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hydrochloride

    4. Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Hydrochloride

    5. (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hydrochloride

    6. 33arm3z735

    7. Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Hcl

    8. Mfcd11865137

    9. Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo(3.1.0)hexane-2-carboxylate Hydrochloride

    10. Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo-[3.1.0]hexane-2-carboxylate Hydrochloride

    11. 3-azabicyclo(3.1.0)hexane-2-carboxylic Acid, 6,6-dimethyl-, Methyl Ester, Hydrochloride (1:1), (1r,2s,5s)-

    12. 3-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 6,6-dimethyl-, Methyl Ester, Hydrochloride (1:1), (1r,2s,5s)-

    13. Schembl680110

    14. Unii-33arm3z735

    15. Amy19525

    16. Bcp07588

    17. Cs-b0867

    18. Akos024463943

    19. Ac-25850

    20. As-50848

    21. F53492

    22. A851063

    23. J-500330

    24. Methyl 6,6-dimethyl-3-(1r,2s,5s)-azabicyclo[3.1.0]hexane-2-carboxylate

    25. (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hcl

    26. Methyl (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylate Hcl

    27. Methyl (1s,4s,5r)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxylate Hydrochloride

    28. (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hcl

    29. (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hydrochloride;(1r,2s,5s)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Hydrochloride

    30. (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylicacidmethylesterhydrochloride

    31. (1r,2s,5s)-methyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Hydrochloride

    32. 3-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 6,6-dimethyl-, Methyl Ester, Hydrochloride, (1r,2s,5s)-

    33. 3-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 6,6-dimethyl-, Methyl Ester,hydrochloride, (1r,2s,5s)- (9ci)

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 205.68 g/mol
    Molecular Formula C9H16ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass205.0869564 g/mol
    Monoisotopic Mass205.0869564 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity225
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2