1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl 2-(2,5-dioxo-1,3-oxazolidin-4-yl)acetate

2.1.2 InChI

InChI=1S/C12H11NO5/c14-10(6-9-11(15)18-12(16)13-9)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)

2.1.3 InChI Key

QNIPTEJAZIWFHH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COC(=O)CC2C(=O)OC(=O)N2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. L-asp(obzl)-nca

2. Benzyl 2-(2,5-dioxo-1,3-oxazolidin-4-yl)acetate

3. Benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate

4. 46911-83-5

5. 78420-32-3

6. Mfcd16037555

7. Einecs 237-026-9

8. Nsc525328

9. Schembl4413019

10. Dtxsid70929173

11. Act12822

12. Akos015888838

13. Nsc-525328

14. Ls-14056

15. Sy072321

16. Ds-010497

17. 2,5-dioxooxazolidine-4-acetic Acid Benzyl Ester

18. Benzyl (2,5-dioxo-1,3-oxazolidin-4-yl)acetate

19. Benzyl (2-hydroxy-5-oxo-4,5-dihydro-1,3-oxazol-4-yl)acetate

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁NO₅
Molecular Weight	249.22 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	249.06372245 g/mol
Monoisotopic Mass	249.06372245 g/mol
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	348
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

L-ASP(Obzl)-NCA