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    CAS 70138-72-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 70138-72-6, Boc-d-proline amide, D-n-boc-prolinamide, 1-boc-d-prolinamide, (r)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate, Tert-butyl (2r)-2-carbamoylpyrrolidine-1-carboxylate
    Molecular Formula
    C10H18N2O3
    Molecular Weight
    214.26  g/mol
    InChI Key
    PITJAAIPVBVRAO-SSDOTTSWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m1/s1
    2.1.3 InChI Key
    PITJAAIPVBVRAO-SSDOTTSWSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCCC1C(=O)N
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 70138-72-6

    2. Boc-d-proline Amide

    3. D-n-boc-prolinamide

    4. 1-boc-d-prolinamide

    5. (r)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate

    6. Tert-butyl (2r)-2-carbamoylpyrrolidine-1-carboxylate

    7. (r)-2-carbamoyl-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

    8. L-1-n-boc-prolidinamide

    9. Mfcd03419274

    10. Boc-d-prolinamide

    11. N-tboc-d-prolinamide

    12. N-boc-d-prolinamide

    13. Schembl2225858

    14. Act03202

    15. Amy25326

    16. Vca13872

    17. Zinc2556560

    18. Akos015841241

    19. Akos015894508

    20. Ac-23800

    21. As-45734

    22. A6174

    23. A9265

    24. C2418

    25. Cs-0031473

    26. N-alpha-tert-butyloxycarbonyl-d-proline Amide

    27. 50b073

    28. B56854

    29. A866669

    30. Q-102176

    31. Q-102901

    32. 2-(aminocarbonyl)-1-pyrrolidinecarboxylic Acid 1,1-dimethylethyl Ester

    33. Tert-butyl (r)-2-carbamoylpyrrolidine-1-carboxylate;(r)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 214.26 g/mol
    Molecular Formula C10H18N2O3
    XLogP30
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass214.13174244 g/mol
    Monoisotopic Mass214.13174244 g/mol
    Topological Polar Surface Area72.6 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity270
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1