CAS 36476-78-5

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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

CAS 36476-78-5

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 Formula	C₄H₇NO₂
Molecular Weight	101.10 g/mol
XLogP3	-3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	101.047678466 g/mol
Monoisotopic Mass	101.047678466 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	87.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1