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    Technical details about CAS 159622-10-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 159622-10-3

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 159622-10-3, 213316-50-8, (1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic acid, (1r,2s)-1-{[(tert-butoxy)carbonyl]amino}-2-ethenylcyclopropane-1-carboxylic acid, Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1r,2s)-, (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-vinylcyclopropanecarboxylic acid
    Molecular Formula
    C11H17NO4
    Molecular Weight
    227.26  g/mol
    InChI Key
    RFAQWADNTLIWMG-RDDDGLTNSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C11H17NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,12,15)(H,13,14)/t7-,11-/m1/s1
    2.1.3 InChI Key
    RFAQWADNTLIWMG-RDDDGLTNSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC1(CC1C=C)C(=O)O
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@@]1(C[C@H]1C=C)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 159622-10-3

    2. 213316-50-8

    3. (1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic Acid

    4. (1r,2s)-1-{[(tert-butoxy)carbonyl]amino}-2-ethenylcyclopropane-1-carboxylic Acid

    5. Cyclopropanecarboxylic Acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1r,2s)-

    6. (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-vinylcyclopropanecarboxylic Acid

    7. (1r,2s)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic Acid

    8. (1r,2s)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic Acid

    9. (1r,2s)-1-(tert-butoxycarbonyl)amino-2-vinylcyclopropanecarboxylic Acid

    10. (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropanecarboxylic Acid

    11. Rel-(1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic Acid

    12. (1r,2s)-rel-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic Acid

    13. (1r,2s)-1-(boc-amino)-2-vinylcyclopropanecarboxylic Acid

    14. Mfcd11042412

    15. Cyclopropanecarboxylic Acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1r,2s)-rel-

    16. Lopropanecarboxylic Acid

    17. Starbld0009780

    18. Schembl312680

    19. Dtxsid60438941

    20. Amy10154

    21. Cs-b0185

    22. Zinc38530109

    23. Akos015893032

    24. Akos015994878

    25. Ds-8248

    26. Db-009089

    27. B5322

    28. C3420

    29. D77334

    30. (1r,2s)-1-tert-butoxycarbonylamino-2-vinylcyc

    31. 221b777

    32. A846770

    33. J-500308

    34. N-boc-(1r,2s)-1-amino-2-vinylcyclopropane Carboxylic Acid

    35. (r)-tert-butoxycarbonylamino-2(s)-vinyl-cyclopropanecarboxylic Acid

    36. 1(r)-tert-butoxycarbonylamino-2(s)-vinyl-cyclopropanecarboxylic Acid

    37. 1(r)-tert-butoxycarbonylamino-2(s)-vinylcyclopropanecarboxylic Acid

    38. (1r,2s)-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropanecarboxylic Acid

    39. (1r,2s)-1-tert-butoxycarbonylamino-2-vinyl-cyclopropane-carboxylic Acid

    40. (1r,2s)-1-tert-butoxycarbonylamino-2-vinyl-cyclopropanecarboxylic Acid

    41. (1r,2s)-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropane-1-carboxylic Acid

    42. (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropane-1-carboxylic Acid

    43. Cyclopropanecarboxylic Acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,(1r,2s)-

    44. (1r,2s)-1-boc-2-vinylcyclopropanecarboxylic Acid;vinyl Acca;(1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic Acid

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 227.26 g/mol
    Molecular Formula C11H17NO4
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass227.11575802 g/mol
    Monoisotopic Mass227.11575802 g/mol
    Topological Polar Surface Area75.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity331
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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