loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 259214-55-6, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 259214-55-6

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 259214-55-6, Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1s,2r)-, (1s,2r)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid, (1s,2r)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic acid, Cyclopropanecarboxylic acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,(1s,2r)-, Schembl2617514
    Molecular Formula
    C11H17NO4
    Molecular Weight
    227.26  g/mol
    InChI Key
    RFAQWADNTLIWMG-CPCISQLKSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2R)-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-/m0/s1
    2.1.3 InChI Key
    RFAQWADNTLIWMG-CPCISQLKSA-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. 259214-55-6

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

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

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

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

    6. Schembl2617514

    7. Dtxsid00463398

    8. Amy40325

    9. Cs-b0184

    10. Mfcd06795884

    11. Zinc44857530

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

    13. Akos016843104

    14. (1s,2r)-1-((t-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic Acid

    15. (1s,2r)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic Acid

    16. (1s,2r)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic Acid, Aldrichcpr

    17. (1s,2r)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropane-1-carboxylic Acid

    18. Cyclopropanecarboxylic Acid,1-((1,1-dimethylethoxy)carbonylamino)-2-ethenyl-,(1s,2r)-

    2.3 Create Date
    2006-10-26
    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
    Post Enquiry
    POST ENQUIRY