Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 219921-94-5, Repaglinide related compound a, (s)-3-methyl-1-(2-piperidinophenyl)butylamine n-acetyl-l-glutamate, (s,s')-3-methyl-1-(2-piperidinophenyl)butylamine, n-acetyl-glutamate salt, 1u5q8kd140, (s)-3-methyl-1-(2-piperidinophenyl)butylamine n-acetylglutamate salt
Molecular Formula
C23H37N3O5
Molecular Weight
435.6  g/mol
InChI Key
YPDMBMNFFPWTOV-NXMISADUSA-N
FDA UNII
1U5Q8KD140

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-acetamidopentanedioic acid;(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
2.1.2 InChI
InChI=1S/C16H26N2.C7H11NO5/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18;1-4(9)8-5(7(12)13)2-3-6(10)11/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t15-;5-/m00/s1
2.1.3 InChI Key
YPDMBMNFFPWTOV-NXMISADUSA-N
2.1.4 Canonical SMILES
CC(C)CC(C1=CC=CC=C1N2CCCCC2)N.CC(=O)NC(CCC(=O)O)C(=O)O
2.1.5 Isomeric SMILES
CC(C)C[C@@H](C1=CC=CC=C1N2CCCCC2)N.CC(=O)N[C@@H](CCC(=O)O)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
1U5Q8KD140
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 219921-94-5

2. Repaglinide Related Compound A

3. (s)-3-methyl-1-(2-piperidinophenyl)butylamine N-acetyl-l-glutamate

4. (s,s')-3-methyl-1-(2-piperidinophenyl)butylamine, N-acetyl-glutamate Salt

5. 1u5q8kd140

6. (s)-3-methyl-1-(2-piperidinophenyl)butylamine N-acetylglutamate Salt

7. (2s)-2-acetamidopentanedioic Acid;(1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

8. (1s)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butan-1-amine N-acetyl-l-glutamate

9. 3-methyl-1-(2-piperidinophenyl)-1-butylamine, (s)-, N-acetyl-l-glutamate

10. (1s)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butan-1-amine; (2s)-2-acetamidopentanedioic Acid

11. (s)-3-methyl-1-(2-piperidinophenyl)butylamine N-acetylglutamate

12. Mfcd09840998

13. Unii-1u5q8kd140

14. Dtxsid50176421

15. Bcp04251

16. Repaglinide Related Compound A [usp]

17. (s)-3-methyl-1-[2-(1-piperidinyl)phenyl]butylamine N-acetyl-l-glutamate Salt

18. Akos015919997

19. Ds-1077

20. (2s)-2-acetamidopentanedioic Acid,(1s)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

21. Ac-23929

22. Repaglinide Related Compound A Rs [usp]

23. A25000

24. Ec 606-883-4

25. O10220

26. Repaglinide Related Compound A [usp-rs]

27. J-014399

28. Q27252888

29. Repaglinide Related Compound A [usp Impurity]

30. (s)-3-methyl-1-(2-piperidinophenyl)butylaminen-acetyl-l-glutamate

31. 3-methyl-1-(2-piperidinophenyl)butylamine N-acetylglutamate Salt

32. (s,s')-3-methyl-1-(2-piperidinophenyl)butylamine N-acetyl-glutamate Salt

33. (s,s')-3-methyl-1-(2-piperidinophenyl)butylamine,n-acetyl-glutamate Salt

34. N-acetyl-l-glutamate(s)-3-methyl-1-(2-piperidinophenyl)-1-butylamine

35. (2s)-2-acetamidopentanedioic Acid; (1s)-3-methyl-1-[2-(1-piperidyl)phenyl]butan-1-amine

36. (s)-3-methyl-1-(2-piperidine-1-phenyl)butylamine Compound With N-acetyl-l-glutamic Acid

37. L-glutamic Acid, N-acetyl-, Compd. With (.alpha.s)-.alpha.-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)

38. L-glutamic Acid, N-acetyl-, Compd. With (alphas)-alpha-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)

2.4 Create Date
2012-05-21
3 Chemical and Physical Properties
Molecular Weight 435.6 g/mol
Molecular Formula C23H37N3O5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass435.27332129 g/mol
Monoisotopic Mass435.27332129 g/mol
Topological Polar Surface Area133 Ų
Heavy Atom Count31
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2