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Also known as: 6306-52-1, H-val-ome.hcl, Methyl valinate hydrochloride, (s)-methyl 2-amino-3-methylbutanoate hydrochloride, L-valine methyl ester hcl, Methyl l-valinate hydrochloride
Molecular Formula
C6H14ClNO2
Molecular Weight
167.63  g/mol
InChI Key
KUGLDBMQKZTXPW-JEDNCBNOSA-N

CAS 6306-52-1
1 2D Structure

CAS 6306-52-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
2.1.2 InChI
InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
2.1.3 InChI Key
KUGLDBMQKZTXPW-JEDNCBNOSA-N
2.1.4 Canonical SMILES
CC(C)C(C(=O)OC)N.Cl
2.1.5 Isomeric SMILES
CC(C)[C@@H](C(=O)OC)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6306-52-1

2. H-val-ome.hcl

3. Methyl Valinate Hydrochloride

4. (s)-methyl 2-amino-3-methylbutanoate Hydrochloride

5. L-valine Methyl Ester Hcl

6. Methyl L-valinate Hydrochloride

7. H-l-val-ome Hcl

8. L-valine Methyl Ester, Hcl

9. L-valine, Methyl Ester, Hydrochloride

10. Valine Methyl Ester Hydrochloride

11. H-val-ome Hydrochloride

12. (s)-2-amino-3-methyl-butyric Acid Methyl Ester Hydrochloride

13. Methyl (2s)-2-amino-3-methylbutanoate;hydrochloride

14. H-val-ome Hcl

15. L-valine Methylester Hcl

16. L-valine Methyl-ester Hcl

17. L-methyl Valinate Hydrochloride

18. Methyl (2s)-2-amino-3-methylbutanoate Hydrochloride

19. Mfcd00012497

20. Methyl Valinate Hcl

21. (s)-2-amino-3-methyl-butyric Acid Methyl Esterhydrochloride

22. Einecs 228-620-9

23. H-val-ome?cl

24. Val-ome Hydrochloride

25. H-val-ome. Hcl

26. H-val-ome⋅hcl

27. H-val-och3.hcl

28. Schembl261172

29. Valine Methylester Hydrochloride

30. Valin Methyl Ester Hydrochloride

31. Chembl1221961

32. Dtxsid60212389

33. L-valine Methylester Hydrochloride

34. L-valine Methyl Ester Hydrochoride

35. L Valine Methyl Ester Hydrochloride

36. Act08510

37. Bcp11286

38. Str02995

39. Nsc 22920

40. (l)-valine Methyl Ester Hydrochloride

41. (s)-valine Methyl Ester Hydrochloride

42. Akos015845881

43. Akos015892711

44. Ac-6863

45. Cs-w010793

46. Hy-w010077

47. Nsc 197198

48. L-(+)-valine Methyl Ester Hydrochloride

49. L-valine Methyl Ester Hydrochloride, 99%

50. Db-029990

51. Am20100557

52. V0056

53. M02951

54. 306v521

55. J-300307

56. L-2-aminoisovaleric Acid Methyl Ester Hydrochloride

57. Q-101859

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 167.63 g/mol
Molecular Formula C6H14ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass167.0713064 g/mol
Monoisotopic Mass167.0713064 g/mol
Topological Polar Surface Area52.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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