L-Leu-NCA

Synopsis, Chemistry

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Also known as: 51248-35-2, H-dl-leu-nca, L-leucine nca, 4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione, Isobutyloxazolidine-2,5-dione, (r,s)-4-isobutyloxazolidine-2,5-dione

Molecular Formula

C₇H₁₁NO₃

Molecular Weight

157.17 g/mol

InChI Key

JHWZWIVZROVFEM-UHFFFAOYSA-N

1 2D Structure

L-Leu-NCA

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione

2.1.2 InChI

InChI=1S/C7H11NO3/c1-4(2)3-5-6(9)11-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)

2.1.3 InChI Key

JHWZWIVZROVFEM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CC1C(=O)OC(=O)N1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 51248-35-2

2. H-dl-leu-nca

3. L-leucine Nca

4. 4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione

5. Isobutyloxazolidine-2,5-dione

6. (r,s)-4-isobutyloxazolidine-2,5-dione

7. Mfcd02684167

8. 26334-33-8

9. 51018-87-2

10. N-carboxyanhydride L-leucine; N-carboxyleucine Anhydride; Nsc 351903

11. Leucine Anhydride

12. Dl-leucine Nca

13. Mfcd03411292

14. Einecs 257-083-3

15. L-leucine N-carboxyanhydride

16. 3,3,3-triphenylpropionicacid

17. Schembl8647155

18. Dtxsid60871738

19. Act14057

20. Bca24835

21. Einecs 221-692-2

22. Dl-4-isobutyloxazolidine-2,5-dione

23. Mfcd03411293

24. Nsc351903

25. 2, 4-(2-methylpropyl)-, (s)-

26. Akos006228712

27. Nsc 351903

28. Nsc-351903

29. Sb44325

30. Ds-17234

31. Sy007693

32. Sy037764

33. Sy225253

34. Db-020426

35. Cs-0317706

36. Ft-0605180

37. Ft-0690463

38. Ft-0762388

39. J-650064

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₁NO₃
Molecular Weight	157.17 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	157.07389321 g/mol
Monoisotopic Mass	157.07389321 g/mol
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	188
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	1