CAS 23150-65-4

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Also known as: 23150-65-4, L-glutamic acid dimethyl ester hydrochloride, H-glu(ome)-ome.hcl, (s)-dimethyl 2-aminopentanedioate hydrochloride, Glutamic acid dimethyl ester hydrochloride, Mfcd00038879

Molecular Formula

C₇H₁₄ClNO₄

Molecular Weight

211.64 g/mol

InChI Key

MFUPLHQOVIUESQ-JEDNCBNOSA-N

FDA UNII

185VC5X3PF

1 2D Structure

CAS 23150-65-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dimethyl (2S)-2-aminopentanedioate;hydrochloride

2.1.2 InChI

InChI=1S/C7H13NO4.ClH/c1-11-6(9)4-3-5(8)7(10)12-2;/h5H,3-4,8H2,1-2H3;1H/t5-;/m0./s1

2.1.3 InChI Key

MFUPLHQOVIUESQ-JEDNCBNOSA-N

2.1.4 Canonical SMILES

COC(=O)CCC(C(=O)OC)N.Cl

2.1.5 Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)N.Cl

2.2 Other Identifiers

2.2.1 UNII

185VC5X3PF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 23150-65-4

2. L-glutamic Acid Dimethyl Ester Hydrochloride

3. H-glu(ome)-ome.hcl

4. (s)-dimethyl 2-aminopentanedioate Hydrochloride

5. Glutamic Acid Dimethyl Ester Hydrochloride

6. Mfcd00038879

7. (s)-dimethyl 2-aminopentanedioate Hcl

8. 1,5-dimethyl (2s)-2-aminopentanedioate Hydrochloride

9. 185vc5x3pf

10. Dimethyl Glutamate Hydrochloride

11. L-glutamic Acid, 1,5-dimethyl Ester, Hydrochloride (1:1)

12. Dimethyl (2s)-2-aminopentanedioate;hydrochloride

13. L-glutamic Acid Dimethyl Ester, Hcl

14. [(2s)-1,5-dimethoxy-1,5-dioxopentan-2-yl]azanium;chloride

15. H-glu(ome)-ome Hcl

16. Unii-185vc5x3pf

17. Nsc-83254

18. Dimethyl L-2-aminoglutarate Hcl

19. Einecs 245-461-0

20. Dimethyl L-2-aminoglutarate Hydrochloride

21. H-glu(ome)-ome. Hcl

22. Schembl624145

23. Chembl1222010

24. Dimethyl-l-glutamate Hydrochloride

25. Mfuplhqoviuesq-jedncbnosa-n

26. Hy-y0749

27. Str07201

28. Nsc 83254

29. Akos015845832

30. Ac-5310

31. Am81752

32. Cs-w020521

33. Fd21510

34. L-glutamic Acid Dimethyl Ester Hcl

35. L-glutamic Acid-dimethylester-hydrochloride

36. Db-029957

37. D3353

38. L- Glutamic Acid Dimethyl Ester Hydrochloride

39. En300-172753

40. G-3880

41. L-glutamic Acid, Dimethyl Ester, Hydrochloride

42. M02974

43. Dimethyl (2s)-2-aminopentanedioate Hydrochloride

44. L-glutamic Acid Dimethyl Ester Hydrochloride Salt

45. A816595

46. J-300116

47. Q-101805

48. Q27251976

49. Glutamic Acid, Dimethyl Ester, Hydrochloride, L-

50. Z1809258545

51. Chlorine; Dimethyl 2-aminopentanedioate;l-glutamic Acid Dimethyl Ester Hydrochloride

52. L-glutamic Acid Dimethyl Ester Hydrochloride, >=99.0% (dried Material, At)

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₄ClNO₄
Molecular Weight	211.64 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	78.6
Heavy Atom Count	13
Formal Charge	0
Complexity	169
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