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    L-Leu-NCA

    PharmaCompass
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    2D Structure
    Also known as: 51248-35-2, H-dl-leu-nca, L-leucine nca, 4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione, Isobutyloxazolidine-2,5-dione, (r,s)-4-isobutyloxazolidine-2,5-dione
    Molecular Formula
    C7H11NO3
    Molecular Weight
    157.17  g/mol
    InChI Key
    JHWZWIVZROVFEM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione
    2.1.2 InChI
    InChI=1S/C7H11NO3/c1-4(2)3-5-6(9)11-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)
    2.1.3 InChI Key
    JHWZWIVZROVFEM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC1C(=O)OC(=O)N1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 51248-35-2

    2. H-dl-leu-nca

    3. L-leucine Nca

    4. 4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione

    5. Isobutyloxazolidine-2,5-dione

    6. (r,s)-4-isobutyloxazolidine-2,5-dione

    7. Mfcd02684167

    8. 26334-33-8

    9. 51018-87-2

    10. N-carboxyanhydride L-leucine; N-carboxyleucine Anhydride; Nsc 351903

    11. Leucine Anhydride

    12. Dl-leucine Nca

    13. Mfcd03411292

    14. Einecs 257-083-3

    15. L-leucine N-carboxyanhydride

    16. 3,3,3-triphenylpropionicacid

    17. Schembl8647155

    18. Dtxsid60871738

    19. Act14057

    20. Bca24835

    21. Einecs 221-692-2

    22. Dl-4-isobutyloxazolidine-2,5-dione

    23. Mfcd03411293

    24. Nsc351903

    25. 2, 4-(2-methylpropyl)-, (s)-

    26. Akos006228712

    27. Nsc 351903

    28. Nsc-351903

    29. Sb44325

    30. Ds-17234

    31. Sy007693

    32. Sy037764

    33. Sy225253

    34. Db-020426

    35. Cs-0317706

    36. Ft-0605180

    37. Ft-0690463

    38. Ft-0762388

    39. J-650064

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 157.17 g/mol
    Molecular Formula C7H11NO3
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass157.07389321 g/mol
    Monoisotopic Mass157.07389321 g/mol
    Topological Polar Surface Area55.4 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity188
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1