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    Technical details about CAS 108963-96-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 108963-96-8

    BUILDING BLOCK

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    2D Structure
    Also known as: 108963-96-8, Boc-pyr-ome, Methyl l-n-boc-pyroglutamate, 1-tert-butyl 2-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate, 1-o-tert-butyl 2-o-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate, (s)-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate
    Molecular Formula
    C11H17NO5
    Molecular Weight
    243.26  g/mol
    InChI Key
    FNTAOUUEQHKLIU-ZETCQYMHSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
    2.1.2 InChI
    InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
    2.1.3 InChI Key
    FNTAOUUEQHKLIU-ZETCQYMHSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)OC
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 108963-96-8

    2. Boc-pyr-ome

    3. Methyl L-n-boc-pyroglutamate

    4. 1-tert-butyl 2-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate

    5. 1-o-tert-butyl 2-o-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate

    6. (s)-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate

    7. (s)-5-oxo-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

    8. Mfcd06809720

    9. Boc-pyr-ome, 97%

    10. Methyl (2s)-1-(tert-butoxycarbonyl)pyroglutamate

    11. Methyl N-boc-l-pyroglutamate

    12. N-boc-l-pyroglutamic Acid M

    13. Schembl540990

    14. Amy3778

    15. Dtxsid10446511

    16. 1-(tert-butyl) 2-methyl (s)-5-oxopyrrolidine-1,2-dicarboxylate

    17. Act04369

    18. Zinc4202561

    19. Akos005145518

    20. Ac-5690

    21. Cs-w003361

    22. Ds-1049

    23. M2803

    24. Methyl (s)-n-tert-butoxycarbonylpyroglutamate

    25. Methyl N-(tert-butoxycarbonyl)-l-pyroglutamate

    26. 811b483

    27. Methyl (s)-boc-5-pyrrolidone-2-carboxylate, 97%

    28. Q-101863

    29. 1-(tert-butoxycarbonyl)-5-oxo-l-proline Methyl Ester

    30. N-(tert-butoxycarbonyl)-l-pyroglutamic Acid Methyl Ester

    31. 1-tert-butyl 2-methyl (2s)-5-oxopyrrolidine-1, 2-dicarboxylate

    32. Methyl (s)-1-(tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylate

    33. 1-(1,1-dimethylethyl) 2-methyl (2s)-5-oxo-1,2-pyrrolidine-dicarboxylate

    34. 1-(1,1-dimethylethyl) 2-methyl (2s)-5-oxo-1,2-pyrrolidinedicarboxylate

    35. (2s)-5-oxo-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

    36. (s)-1-(tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic Acid Methyl Ester

    37. (s)-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate;methyl Boc-l-pyroglutamate

    38. (s)-5-oxopyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 243.26 g/mol
    Molecular Formula C11H17NO5
    XLogP30.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass243.11067264 g/mol
    Monoisotopic Mass243.11067264 g/mol
    Topological Polar Surface Area72.9 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity344
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1