CAS 16277-06-8

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Also known as: (2s)-2-methylpyrrolidine-2-carboxylic acid, 16277-06-8, Dtxsid001316010, Dtxcid401745887, 610-068-9, 804-948-3

Molecular Formula

C₆H₁₁NO₂

Molecular Weight

129.16 g/mol

InChI Key

LWHHAVWYGIBIEU-LURJTMIESA-N

1 2D Structure

CAS 16277-06-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-methylpyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1

2.1.3 InChI Key

LWHHAVWYGIBIEU-LURJTMIESA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 2-methylproline

2. Alpha-methylproline

3. C(alpha)-methyl Proline

4. Calpha-methylproline

2.2.2 Depositor-Supplied Synonyms

1. (2s)-2-methylpyrrolidine-2-carboxylic Acid

2. 16277-06-8

3. Dtxsid001316010

4. Dtxcid401745887

5. 610-068-9

6. 804-948-3

7. 42856-71-3

8. (s)-2-methylpyrrolidine-2-carboxylic Acid

9. (s)-2-methylproline

10. 2-methylproline

11. Proline, 2-methyl-

12. Alpha-methyl-l-proline

13. (s)-2-methyl-2-pyrrolidinecarboxylicacid

14. H-alpha-me-pro-oh

15. 63399-73-5

16. Alpha-methylproline

17. L-proline, 2-methyl-

18. Mfcd01318647

19. H-(me)pro-oh

20. (2s)-2-methyl-2-pyrrolidiniumcarboxylate

21. 2-methyl-l-pro

22. Calpha-methylproline

23. Nsc 14964

24. H--me-pro-oh

25. 2-methyl-(l)-proline

26. Alpha -methyl-l-proline

27. Schembl697443

28. Bcp18010

29. Cs-m1365

30. Akos016842490

31. Ab08716

32. Ac-23328

33. As-54490

34. Hy-76962

35. Pd196071

36. Alpha-methyl-l-proline (h-ame-l-pro-oh)

37. Db-288938

38. (s)-2-methyl-pyrrolidine-2-carboxylic Acid

39. Alpha-methyl-l-proline, >=98.0% (tlc)

40. M2077

41. En300-174676

42. S10668

43. Q27454210

2.3 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁NO₂
Molecular Weight	129.16 g/mol
XLogP3	-2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	49.3
Heavy Atom Count	9
Formal Charge	0
Complexity	135
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