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    CAS 1428243-24-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1428243-24-6, (3r,4s)-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic acid, (3r,4s)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid, Dtxsid501140955, Dtxcid201572575, 820-324-3
    Molecular Formula
    C15H19NO4
    Molecular Weight
    277.31  g/mol
    InChI Key
    LKPALAXKZXXURJ-OLZOCXBDSA-N
    FDA UNII
    9RCJ43G3K5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4S)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C15H19NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,17,18)/t12-,13+/m1/s1
    2.1.3 InChI Key
    LKPALAXKZXXURJ-OLZOCXBDSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    9RCJ43G3K5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1428243-24-6

    2. (3r,4s)-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic Acid

    3. (3r,4s)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid

    4. Dtxsid501140955

    5. Dtxcid201572575

    6. 820-324-3

    7. 1428243-23-5

    8. Rel-(3r,4s)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid

    9. Cis-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylicacid

    10. (3r,4s)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic Acid

    11. Cis-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic Acid

    12. Mfcd30802575

    13. Mfcd30861467

    14. (3r,4s)-1-cbz-4-ethylpyrrolidine-3-carboxylic Acid

    15. Ube83uc73a

    16. 9rcj43g3k5

    17. Schembl14778856

    18. Akos037646945

    19. As-71633

    20. Db-200233

    21. Cs-0056830

    22. Cis-1-cbz-4-ethylpyrrolidine-3-carboxylicacid

    23. E83425

    24. W19674

    25. (3r,4s)-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylate

    26. 1-(phenylmethyl) (3r,4s)-4-ethyl-1,3-pyrrolidinedicarboxylate

    27. Rel-1-(phenylmethyl) (3r,4s)-4-ethyl-1,3-pyrrolidinedicarboxylate

    28. 1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid, (3r,4s)-

    29. Rac-(3r,4s)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid

    30. 1,3-pyrrolidinedicarboxylic Acid, 4-ethyl-, 1-(phenylmethyl) Ester, (3r,4s)-rel-

    31. 1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid, (3r,4s)-rel-

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 277.31 g/mol
    Molecular Formula C15H19NO4
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area66.8
    Heavy Atom Count20
    Formal Charge0
    Complexity352
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1