Please Wait
Applying Filters...
menu
    • menu
    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

    Virtual Booth

    Contact Supplier

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    CAS 159622-09-0

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 159622-09-0, (1r,2s)-1-tert-butoxycarbonylamino-2-vinyl-cyclopropanecarboxylic acid methyl ester, Methyl (1r,2s)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, methyl ester, (1r,2s)-, Cyclopropanecarboxylic acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,methyl ester,(1r,2s)-, (1r,2s)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic acid methyl ester
    Molecular Formula
    C12H19NO4
    Molecular Weight
    241.28  g/mol
    InChI Key
    MMSKTMKTGVHMAV-PRHODGIISA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
    2.1.2 InChI
    InChI=1S/C12H19NO4/c1-6-8-7-12(8,9(14)16-5)13-10(15)17-11(2,3)4/h6,8H,1,7H2,2-5H3,(H,13,15)/t8-,12-/m1/s1
    2.1.3 InChI Key
    MMSKTMKTGVHMAV-PRHODGIISA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC1(CC1C=C)C(=O)OC
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@@]1(C[C@H]1C=C)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 159622-09-0

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

    3. Methyl (1r,2s)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

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

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

    6. (1r,2s)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic Acid Methyl Ester

    7. Schembl583727

    8. Dtxsid20439656

    9. Amy38851

    10. Cs-b0405

    11. Zinc38540831

    12. (1r,2s)-methyl1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylate

    13. Akos016011333

    14. N-boc-(1r,2s)-1-amino-2-vinylcyclopropane Carboxylic Acid Methyl Ester

    15. Methyl (1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropane-1-carboxylate

    16. Cs-13008

    17. A852729

    18. N-boc-(1 R,2 S)-1-amino-2-vinylcyclopropane Carboxylic Acid Methyl Ester

    19. N-boc-(1r, 2s)-1-amino-2-vinylcyclopropane Carboxylic Acid Methyl Ester

    20. N-boc-(1r,2s)-amino-2-vinylcyclopropane Carboxylic Acid Methyl Ester

    21. 1-(tert-butoxycarbonylamino)-2alpha-vinylcyclopropane-1alpha-carboxylic Acid Methyl Ester

    22. Methyl (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropane-1-carboxylate

    23. Cyclopropanecarboxylic Acid,1-((1,1-dimethylethoxy)carbonylamino)-2-ethenyl-,methyl Ester,(1r,2s)-

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

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 241.28 g/mol
    Molecular Formula C12H19NO4
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass241.13140809 g/mol
    Monoisotopic Mass241.13140809 g/mol
    Topological Polar Surface Area64.6 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity345
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1