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    CAS 36476-78-5

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Azetidine-3-carboxylic acid, 36476-78-5, 3-azetanecarboxylic acid, 3-carboxyazetidine, Cha-811, Azetidine-3-carboxylicacid
    Molecular Formula
    C4H7NO2
    Molecular Weight
    101.10  g/mol
    InChI Key
    GFZWHAAOIVMHOI-UHFFFAOYSA-N
    FDA UNII
    56Y8G819O3
    A proline analog that acts as a stoichiometric replacement of proline. It causes the production of abnormal proteins with impaired biological activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    azetidine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C4H7NO2/c6-4(7)3-1-5-2-3/h3,5H,1-2H2,(H,6,7)
    2.1.3 InChI Key
    GFZWHAAOIVMHOI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(CN1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    56Y8G819O3
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3 Azetidinecarboxylic Acid

    2. Azetidine 2 Carboxylic Acid

    3. Azetidine 3 Carboxylic Acid

    4. Azetidine-2-carboxylic Acid

    5. Azetidine-3-carboxylic Acid

    6. Azetidinecarboxylic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. Azetidine-3-carboxylic Acid

    2. 36476-78-5

    3. 3-azetanecarboxylic Acid

    4. 3-carboxyazetidine

    5. Cha-811

    6. Azetidine-3-carboxylicacid

    7. Mfcd00191763

    8. H-aze(3)-oh

    9. 3-azetidine Carboxylic Acid

    10. Chembl310435

    11. 56y8g819o3

    12. Caswell No. 063c

    13. Epa Pesticide Chemical Code 128830

    14. Brn 0385928

    15. Unii-56y8g819o3

    16. Schembl42967

    17. 5-22-01-00023 (beilstein Handbook Reference)

    18. L-azetidine-3-carboxylic Acid

    19. Amot0006

    20. Dtxsid1041479

    21. 3-azetidinecarboxylic Acid, 98%

    22. Act01800

    23. Bcp07094

    24. Hy-y0530

    25. Zinc2556948

    26. Bbl101508

    27. Bdbm50000104

    28. Stl555304

    29. Akos004910732

    30. Ac-5893

    31. Cs-w019846

    32. Ms-0192

    33. Pb12129

    34. Bp-11676

    35. Sy002050

    36. Db-006354

    37. A6304

    38. Am20090582

    39. Bb 0260175

    40. C3379

    41. Ft-0601086

    42. En300-74879

    43. 476a785

    44. Q-103137

    45. Q27261441

    46. F2158-1519

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 101.10 g/mol
    Molecular Formula C4H7NO2
    XLogP3-3.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass101.047678466 g/mol
    Monoisotopic Mass101.047678466 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity87.7
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1