CAS 42429-27-6

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Also known as: 42429-27-6, L-prolinamide hydrochloride, (s)-pyrrolidine-2-carboxamide hydrochloride, (2s)-pyrrolidine-2-carboxamide hydrochloride, L-proline amide hydrochloride, L-prolinamide hcl

Molecular Formula

C₅H₁₁ClN₂O

Molecular Weight

150.61 g/mol

InChI Key

CSKSDAVTCKIENY-WCCKRBBISA-N

1 2D Structure

CAS 42429-27-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-pyrrolidine-2-carboxamide;hydrochloride

2.1.2 InChI

InChI=1S/C5H10N2O.ClH/c6-5(8)4-2-1-3-7-4;/h4,7H,1-3H2,(H2,6,8);1H/t4-;/m0./s1

2.1.3 InChI Key

CSKSDAVTCKIENY-WCCKRBBISA-N

2.1.4 Canonical SMILES

C1CC(NC1)C(=O)N.Cl

2.1.5 Isomeric SMILES

C1C[C@H](NC1)C(=O)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 42429-27-6

2. L-prolinamide Hydrochloride

3. (s)-pyrrolidine-2-carboxamide Hydrochloride

4. (2s)-pyrrolidine-2-carboxamide Hydrochloride

5. L-proline Amide Hydrochloride

6. L-prolinamide Hcl

7. (s)-pyrrolidine-2-carboxamide Hcl

8. (2s)-pyrrolidine-2-carboxamide;hydrochloride

9. H-pro-nh2.hcl

10. 56433-35-3

11. 2-pyrrolidinecarboxamide, Hydrochloride (1:2), (2s)-

12. Einecs 255-818-2

13. L-prolinamide, Hcl

14. L-proline Amide Hcl

15. L-(-)-prolinamide Hydrochloride

16. Prolinamide Hydrochloride

17. L-pro-nh2⋅hcl

18. (2s)-pyrrolidine-2-carboxamide,hydrochloride

19. Proline Amide Hydrochloride

20. Schembl241227

21. Dtxsid10195214

22. Mfcd00058156

23. Akos016843692

24. Am82206

25. Cs-w018129

26. Hy-w017413

27. As-50380

28. (s)-pyrrolidine-2-carboxamidehydrochloride

29. En300-315545

30. P10052

31. (s)-pyrrolidine-2-carboxamide Hydrochloride Salt

32. A825896

33. W-106273

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₁ClN₂O
Molecular Weight	150.61 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	55.1
Heavy Atom Count	9
Formal Charge	0
Complexity	103
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	2

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