Methyl L-Leucinate HCl

Synopsis, Chemistry

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Also known as: 6322-53-8, H-dl-leu-ome hcl, H-dl-leu-ome.hcl, H-dl-leu-ome-hcl, H-d-leu-ome hcl, Dl-leucine methyl ester hydrochloride

Molecular Formula

C₇H₁₆ClNO₂

Molecular Weight

181.66 g/mol

InChI Key

DODCBMODXGJOKD-UHFFFAOYSA-N

1 2D Structure

Methyl L-Leucinate HCl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-amino-4-methylpentanoate;hydrochloride

2.1.2 InChI

InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H

2.1.3 InChI Key

DODCBMODXGJOKD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CC(C(=O)OC)N.Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Leucine Methyl Ester

2. Leucine Methyl Ester Hydrochloride

3. Leucine Methyl Ester, (d-leu)-isomer

4. Leucine-o-methyl Ester

5. Methyl Leucine

2.2.2 Depositor-Supplied Synonyms

1. 6322-53-8

2. H-dl-leu-ome Hcl

3. H-dl-leu-ome.hcl

4. H-dl-leu-ome-hcl

5. H-d-leu-ome Hcl

6. Dl-leucine Methyl Ester Hydrochloride

7. Methyl 2-amino-4-methylpentanoate;hydrochloride

8. (s)-methyl 2-amino-4-methylpentanoate Hydrochloride

9. Methyl Dl-leucinate Hydrochloride

10. H-dl-leu-ome Hydrochloride

11. Leucine Methyl Ester Hydrochloride

12. Mfcd00066115

13. H-leu-ome Hcl

14. Methyl L-leucinate Hcl

15. L-leucine, Hydrochloride

16. H-l-leu-ome Hcl

17. H-d-leu-ome . Hcl

18. Methyl (2s)-2-amino-4-methylpentanoate Hydrochloride

19. H-d-leu-ome Hydrochloride

20. (s)-2-amino-4-methyl-pentanoic Acid Methyl Esterhydrochloride

21. Schembl355415

22. L-leucinemethyl Esterhydrochloride

23. 2-amino-4-methylpentanoic Acid Methyl Ester Hydrochloride

24. Albb-031648

25. Nsc32110

26. Einecs 231-375-0

27. Mfcd00067541

28. Nsc-32110

29. Nsc522233

30. Nsc522846

31. Akos008030231

32. Fd21914

33. Nsc 522233

34. Nsc-522233

35. Nsc-522846

36. H-dl-leu-ome Hydrochloride, Aldrichcpr

37. Leucine,methyl Ester,hydrochloride(1:1)

38. As-49240

39. Sy037977

40. Db-053207

41. Leucine Methyl Ester, Hydrochloride (1:1)

42. Am20100563

43. Cs-0213107

44. Ft-0625461

45. Ft-0627935

46. En300-07724

47. A838338

48. Methyl 2-azanyl-4-methyl-pentanoate Hydrochloride

49. Dimethylaminonaphthalene-5-sulfonamidoethyltrimethylammoniumperchlorate

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₆ClNO₂
Molecular Weight	181.66 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	181.0869564 g/mol
Monoisotopic Mass	181.0869564 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	112
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2