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Also known as: 87269-87-2, 38hks9c1wm, Benzyl (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride, 1279035-95-8, (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester hydrochloride, Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
Molecular Formula
C15H20ClNO2
Molecular Weight
281.78  g/mol
InChI Key
HLXCXOQXUDRJLF-JKBZPBJLSA-N
FDA UNII
38HKS9C1WM

CAS 87269-87-2
1 2D Structure

CAS 87269-87-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
2.1.2 InChI
InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14-;/m0./s1
2.1.3 InChI Key
HLXCXOQXUDRJLF-JKBZPBJLSA-N
2.1.4 Canonical SMILES
C1CC2CC(NC2C1)C(=O)OCC3=CC=CC=C3.Cl
2.1.5 Isomeric SMILES
C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)OCC3=CC=CC=C3.Cl
2.2 Other Identifiers
2.2.1 UNII
38HKS9C1WM
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 87269-87-2

2. 38hks9c1wm

3. Benzyl (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate Hydrochloride

4. 1279035-95-8

5. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzyl Ester Hydrochloride

6. Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride

7. Benzyl (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylate Hydrochloride

8. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzyl Ester, Hcl

9. (1s,3s,5s)-2-azabicyclo[3,3,0]octane-3-carborylic Acid Benzyl Ester Hydrochloride

10. (2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic Acid Phenylmethyl Ester Hydrochloride

11. Cyclopenta(b)pyrrole-2-carboxylic Acid, Octahydro-, Phenylmethyl Ester, Hydrochloride (1:1), (2s,3ar,6ar)-

12. (s,s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzylester Hydrochloride

13. (2s,3as,6as)-octahydro-cyclopenta[b]pyrrole-2-carboxylic Acid, Benzyl Ester, Hcl

14. Unii-38hks9c1wm

15. Schembl1997637

16. (s,s)-2-azabicyclo[3,3,0]-octane-3-carboxylic Acid Benzylester Hydrochloride

17. Dtxsid501007472

18. Mfcd04974076

19. Akos015895588

20. Cs-w008300

21. Mg-0725

22. Db-025243

23. 269a872

24. J-502554

25. Q-200694

26. (2s,3as,6as)-benzyl Octahydrocyclopenta[b]pyrrole-2-carboxylate Hcl

27. (2s,3as,6as)-benzyl Octahydrocyclopenta[b]pyrrole-2-carboxylatehydrochloride

28. (2s,3as,6as)-benzyloctahydrocyclopenta[b]pyrrole-2-carboxylatehydrochloride

29. Benzyl (s,s,s)-2-azabicyclo[3,3,0]octane-3-carboxylate. Hydrochloride

30. Benzyl (s,s,s)-2-azabicyclo[3,3,0]octane-3-carboxylate.hydrochloride

31. Benzyl Octahydrocyclopenta[b]pyrrole-2-carboxylate--hydrogen Chloride (1/1)

32. (1s,3s,5s)-2-azabicyclo[3,3,0]-octane-3-3-carboxylic Acid Benzyl Ester Hydrochloride

33. (2s,3as,6as)-benzyl Octahydrocyclopenta-[b]pyrrole-2-carboxylate Hydrochloride

34. (2s,3as,6as)-benzyl Octahydrocyclopenta-[b]pyrrole-2-carboxylate Hydrochloride

35. (s,s,s)-2-azabicyclo [3,3,0] Octane-3-carboxylic Acid Benzyl Ester Hydrochloride

36. (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylic Acid Benzyl Ester Hydrochloride

37. (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylic Acid, Benzyl Ester, Hydrochloride

38. Benzyl (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylate Hydrochloride, 97%

39. Benzyl(2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylate Hydrochloride

40. Benzyl (2s,3as,6as)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate,hydrochloride

2.4 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 281.78 g/mol
Molecular Formula C15H20ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass281.1182566 g/mol
Monoisotopic Mass281.1182566 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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