CAS 74761-42-5

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BUILDING BLOCK

5 Suppliers, 5 End Use APIs, 40 Related Intermediates

5 Suppliers
5 End Use APIs
40 Related Intermediates

Chemistry

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Also known as: 74761-42-5, Moc-val-oh, L-valine, n-(methoxycarbonyl)-, N-(methoxycarbonyl)-l-valine, Moc-l-valine, (2s)-2-[(methoxycarbonyl)amino]-3-methylbutanoic acid

Molecular Formula

C₇H₁₃NO₄

Molecular Weight

175.18 g/mol

InChI Key

CEFVHPDFGLDQKU-YFKPBYRVSA-N

1 2D Structure

CAS 74761-42-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid

2.1.2 InChI

InChI=1S/C7H13NO4/c1-4(2)5(6(9)10)8-7(11)12-3/h4-5H,1-3H3,(H,8,11)(H,9,10)/t5-/m0/s1

2.1.3 InChI Key

CEFVHPDFGLDQKU-YFKPBYRVSA-N

2.1.4 Canonical SMILES

CC(C)C(C(=O)O)NC(=O)OC

2.1.5 Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 74761-42-5

2. Moc-val-oh

3. L-valine, N-(methoxycarbonyl)-

4. N-(methoxycarbonyl)-l-valine

5. Moc-l-valine

6. (2s)-2-[(methoxycarbonyl)amino]-3-methylbutanoic Acid

7. N-methoxycarbonyl-l-valine

8. (s)-2-(methoxycarbonylamino)-3-methylbutanoic Acid

9. (2s)-2-(methoxycarbonylamino)-3-methylbutanoic Acid

10. (methoxycarbonyl)-l-valine

11. Valine,n-(methoxycarbonyl)-

12. Mfcd12795357

13. Meoco-val-oh

14. (s)-2-[(methoxycarbonyl)amino]-3-methylbutyric Acid

15. Ec 616-135-9

16. Schembl4994

17. N-methoxycarbonyl-(l)-valine

18. (2s)-2-(methoxycarbonylamino)-3-methyl-butanoic Acid

19. (2s)-2-((methoxycarbonyl)amino)-3- Methylbutanoic Acid

20. Chembl3287728

21. N-(methoxycarbonyl)-(l)-valine

22. Amy4098

23. Dtxsid60449173

24. Cefvhpdfgldqku-yfkpbyrvsa-n

25. N-[(methyloxy)carbonyl]-l-valine

26. Bcp10085

27. Hy-i1107

28. N-?(methoxycarbonyl)?-?l-?valine

29. Fd3081

30. Akos008144983

31. Ac-29161

32. As-18532

33. Cs-0011179

34. M2857

35. En300-72953

36. (s)-2-methoxycarbonylamino-3-methylbutyric Acid

37. (s)-2-(methoxycarbonylamino)-3methylbutanoic Acid

38. (s)-2-methoxycarbonylamino-3-methyl Butyric Acid

39. (s)-2-methoxycarbonylamino-3-methyl-butyric Acid

40. A848320

41. (5)-2-(methoxycarbonylamino)-3-methylbutanoic Acid

42. (s)-2-(methoxycarbonylamino)-3-methyl-butanoic Acid

43. (s)-2-((methoxycarbonyl)-amino)-3-methylbutanoic Acid

44. (s)?-?2-?methoxycarbonylamino?-?3-?methylbutyric Acid

45. Z756432044

46. (s)-2-(methoxycarbonyl)-3-methylbutanoic Acid;(s)-2-((methoxycarbonyl)amino)-3-methylbutanoic Acid

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃NO₄
Molecular Weight	175.18 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	75.6
Heavy Atom Count	12
Formal Charge	0
Complexity	178
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