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    CAS 149198-47-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 149198-47-0, (3r,4s)-tert-butyl 2-oxo-4-phenyl-3-((triethylsilyl)oxy)azetidine-1-carboxylate, 149107-85-7, Tert-butyl (3r,4s)-2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate, Tert-butyl (3r,4s)-2-oxo-4-phenyl-3-[(triethylsilyl)oxy]azetidine-1-carboxylate, 1-azetidinecarboxylic acid, 2-oxo-4-phenyl-3-[(triethylsilyl)oxy]-, 1,1-dimethylethyl ester, (3r,4s)-rel-
    Molecular Formula
    C20H31NO4Si
    Molecular Weight
    377.5  g/mol
    InChI Key
    LHTDXUKSFSMGCA-DLBZAZTESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl (3R,4S)-2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C20H31NO4Si/c1-7-26(8-2,9-3)25-17-16(15-13-11-10-12-14-15)21(18(17)22)19(23)24-20(4,5)6/h10-14,16-17H,7-9H2,1-6H3/t16-,17+/m0/s1
    2.1.3 InChI Key
    LHTDXUKSFSMGCA-DLBZAZTESA-N
    2.1.4 Canonical SMILES
    CC[Si](CC)(CC)OC1C(N(C1=O)C(=O)OC(C)(C)C)C2=CC=CC=C2
    2.1.5 Isomeric SMILES
    CC[Si](CC)(CC)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)C2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 149198-47-0

    2. (3r,4s)-tert-butyl 2-oxo-4-phenyl-3-((triethylsilyl)oxy)azetidine-1-carboxylate

    3. 149107-85-7

    4. Tert-butyl (3r,4s)-2-oxo-4-phenyl-3-triethylsilyloxyazetidine-1-carboxylate

    5. Tert-butyl (3r,4s)-2-oxo-4-phenyl-3-[(triethylsilyl)oxy]azetidine-1-carboxylate

    6. 1-azetidinecarboxylic Acid, 2-oxo-4-phenyl-3-[(triethylsilyl)oxy]-, 1,1-dimethylethyl Ester, (3r,4s)-rel-

    7. Schembl5887148

    8. Dtxsid10572682

    9. Mfcd08273948

    10. Akos015909778

    11. Zinc169748365

    12. Ac-4263

    13. As-31056

    14. Cs-0209353

    15. 198b470

    16. (3r,4s)-1-t-boc-3-triethylsilyloxy-4-phenylazetidin-2-one

    17. (3r,4s)-1-t-boc-3-[(triethylsilyl)oxy]-4-phenyl-2-azetidinone

    18. (3r, 4s)-1-t-butoxycarbonyl-4-phenyl-3-triethylsilyloxy-2-azetidinone

    19. (3r,4s)-1-t-butoxycarbonyl-4-phenyl-3-triethylsilyloxy-2-azetidinone

    20. 1-(tert-butoxycarbonyl)-3alpha-(triethylsiloxy)-4alpha-phenylazetidin-2-one

    21. Cis-tert-butyl2-oxo-4-phenyl-3-((triethylsilyl)oxy)azetidine-1-carboxylate

    22. (3r,4s)-2-oxo-4-phenyl-3-[(triethylsilyl)oxy]azetidine-1-carboxylic Acid Tert-butyl Ester

    23. Cis-tert-butyl 2-oxo-4-phenyl-3-((triethylsilyl)oxy)azetidine-1-carboxylate

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 377.5 g/mol
    Molecular Formula C20H31NO4Si
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass377.20223500 g/mol
    Monoisotopic Mass377.20223500 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity498
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1