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2D Structure
Also known as: 3190-70-3, (s)-(-)-4-isobutyloxazolidine-2,5-dione, (4s)-4-isobutyloxazolidine-2,5-dione, (4s)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione, (s)-4-(2-methylpropyl)-2,5-oxazolidinedione, (s]-4-(2-methylpropyl)-2,5-oxazolidinedione
Molecular Formula
C7H11NO3
Molecular Weight
157.17  g/mol
InChI Key
JHWZWIVZROVFEM-YFKPBYRVSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-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)/t5-/m0/s1
2.1.3 InChI Key
JHWZWIVZROVFEM-YFKPBYRVSA-N
2.1.4 Canonical SMILES
CC(C)CC1C(=O)OC(=O)N1
2.1.5 Isomeric SMILES
CC(C)C[C@H]1C(=O)OC(=O)N1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3190-70-3

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

3. (4s)-4-isobutyloxazolidine-2,5-dione

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

5. (s)-4-(2-methylpropyl)-2,5-oxazolidinedione

6. (s]-4-(2-methylpropyl)-2,5-oxazolidinedione

7. Mfcd03411292

8. Leu-nca

9. 2,5-oxazolidinedione, 4-(2-methylpropyl)-, (s)-

10. L-leu-nca

11. L-leucin- N-carboxyanhydrid

12. Schembl265958

13. Akos016843645

14. Zinc100025780

15. Ds-5119

16. Fd21855

17. Cs-0031376

18. (4s)-4-isobutyl-1,3-oxazolidine-2,5-dione

19. J-650066

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 157.17 g/mol
Molecular Formula C7H11NO3
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass157.07389321 g/mol
Monoisotopic Mass157.07389321 g/mol
Topological Polar Surface Area55.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1