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CAS 103201-78-1
PharmaCompass
CAS 103201-78-1
Also known as: 103201-78-1, (2s,4s)-4-cyclohexylpyrrolidine-2-carboxylic acid, H-chpro-oh, L-proline, 4-cyclohexyl-, (4s)-, (2s,4s)-4-cyclohexyl-pyrrolidine-2-carboxylic acid, 130092-20-5
Molecular Formula
C11H19NO2
Molecular Weight
197.278  g/mol
InChI Key
XRZWVSXEDRYQGC-ZJUUUORDSA-N

1 2D Structure

CAS 103201-78-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid
2.1.2 InChI
InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
2.1.3 InChI Key
XRZWVSXEDRYQGC-ZJUUUORDSA-N
2.1.4 Canonical SMILES
C1CCC(CC1)C2CC(NC2)C(=O)O
2.1.5 Isomeric SMILES
C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 103201-78-1

2. (2s,4s)-4-cyclohexylpyrrolidine-2-carboxylic Acid

3. H-chpro-oh

4. L-proline, 4-cyclohexyl-, (4s)-

5. (2s,4s)-4-cyclohexyl-pyrrolidine-2-carboxylic Acid

6. 130092-20-5

7. Pubchem9991

8. 4beta-cyclohexyl-l-proline

9. Ksc495m4l

10. Schembl2238814

11. (trans)-4-cyclohexyl-l-proline

12. Ctk3j5645

13. Dtxsid70431160

14. Molport-005-940-772

15. Xrzwvsxedryqgc-zjuuuordsa-n

16. Anw-75249

17. Cc-679

18. Ct0207

19. Mfcd08061929

20. Sbb063216

21. Zinc21984673

22. Akos006287624

23. Akos015840728

24. Ac-7636

25. An-8791

26. Rtr-000725

27. Aj-79236

28. Ak-46563

29. Ak321692

30. Br-46563

31. Ds-13893

32. S458

33. Sc-47465

34. Ab0018640

35. Kb-206838

36. Tr-000725

37. Ft-0082134

38. Ft-0601991

39. St24031933

40. En300-91503

41. S-3859

42. Trans-4-cyclohexylpyrrolidine-2-carboxylic Acid

43. 201c781

44. Q-102535

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 197.278 g/mol
Molecular Formula C11H19NO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass197.142 g/mol
Monoisotopic Mass197.142 g/mol
Topological Polar Surface Area49.3 A^2
Heavy Atom Count14
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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