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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: 34592-47-7, (r)-thiazolidine-4-carboxylic acid, L-thiaproline, H-thz-oh, L-4-thiazolidinecarboxylic acid, Thioproline

Molecular Formula

C₄H₇NO₂S

Molecular Weight

133.17 g/mol

InChI Key

DZLNHFMRPBPULJ-VKHMYHEASA-N

FDA UNII

KL096K0KXL

1 2D Structure

PRS

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R)-1,3-thiazolidine-4-carboxylic acid

2.1.2 InChI

InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1

2.1.3 InChI Key

DZLNHFMRPBPULJ-VKHMYHEASA-N

2.1.4 Canonical SMILES

C1C(NCS1)C(=O)O

2.1.5 Isomeric SMILES

C1[C@H](NCS1)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

KL096K0KXL

2.3 Synonyms

2.3.1 MeSH Synonyms

1. L-4-thiazolidinecarboxylic Acid

2.3.2 Depositor-Supplied Synonyms

1. 34592-47-7

2. (r)-thiazolidine-4-carboxylic Acid

3. L-thiaproline

4. H-thz-oh

5. L-4-thiazolidinecarboxylic Acid

6. Thioproline

7. (4r)-1,3-thiazolidine-4-carboxylic Acid

8. L-thiazolidine-4-carboxylic Acid

9. (r)-4-thiazolidinecarboxylic Acid

10. 4-thiazolidinecarboxylic Acid, (4r)-

11. 4-thiaproline

12. Gamma-thioproline

13. (r)-(-)-thiazolidine-4-carboxylic Acid

14. (4r)-4-thiazolidinecarboxylic Acid

15. Thioproline, L-

16. (r)-(-)-4-thiazolidinecarboxylic Acid

17. Thiazolidinecarboxylic Acid

18. 4-thiazolidinecarboxylic Acid, (r)-

19. L(-)-thiazolidine-4-carboxylic Acid

20. Kl096k0kxl

21. 4-thiazolidinecarboxylic Acid, L-

22. Chebi:45171

23. 34592-47-7 (r-isomer)

24. L-(-)-thiazolidine-4-carboxylic Acid

25. Ncgc00166087-01

26. Dsstox_cid_26536

27. Dsstox_rid_81700

28. Dsstox_gsid_46536

29. Cas-34592-47-7

30. Timonacic, (r)-

31. Ccris 3646

32. Einecs 252-106-3

33. (4r)-thiazolidine-4-carboxylic Acid

34. Unii-kl096k0kxl

35. L-4-thiazolidinecarboxylic Acid, 98%

36. (r)-timonacic

37. H-thiopro-oh

38. Prs

39. Mfcd00005212

40. Cis-4-thia-l-proline

41. Timonacic, (-)-

42. Schembl609164

43. Chembl1235440

44. Dtxsid3046536

45. Zinc967473

46. Tox21_112310

47. Bdbm50357232

48. Akos016346321

49. Tox21_112310_1

50. Ac-9027

51. Cs-w013392

52. Db02846

53. Fs-3979

54. Hy-w012676

55. (r)-(-)-tiazolidine-4-carboxylic Acid

56. Ncgc00263468-01

57. (r)-1,3-thiazolidine-4-carboxylic Acid

58. T0219

59. T-2900

60. Q27093808

61. F1905-7154

2.4 Create Date

2005-07-10

3 Chemical and Physical Properties

Molecular Formula	C₄H₇NO₂S
Molecular Weight	133.17 g/mol
XLogP3	-2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	133.01974964 g/mol
Monoisotopic Mass	133.01974964 g/mol
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	106
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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