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Technical details about CAS 36476-78-5, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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
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