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2D Structure
Also known as: 4829-14-5, (4r)-4-methyl-1,3-oxazolidine-2,5-dione, D-alaninen-carboxy anhydride, (r)-4-methyl-oxazolidine-2,5-dione, Mfcd03411277, D-alaninen-carboxyanhydride
Molecular Formula
C4H5NO3
Molecular Weight
115.09  g/mol
InChI Key
DTETYCNJKAUROO-UWTATZPHSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4R)-4-methyl-1,3-oxazolidine-2,5-dione
2.1.2 InChI
InChI=1S/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)/t2-/m1/s1
2.1.3 InChI Key
DTETYCNJKAUROO-UWTATZPHSA-N
2.1.4 Canonical SMILES
CC1C(=O)OC(=O)N1
2.1.5 Isomeric SMILES
C[C@@H]1C(=O)OC(=O)N1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4829-14-5

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

3. D-alaninen-carboxy Anhydride

4. (r)-4-methyl-oxazolidine-2,5-dione

5. Mfcd03411277

6. D-alaninen-carboxyanhydride

7. D-alanine N-carboxyanhydride

8. Schembl16317106

9. Akos016844299

10. Ds-6751

11. Fd21044

12. A923648

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 115.09 g/mol
Molecular Formula C4H5NO3
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area55.4
Heavy Atom Count8
Formal Charge0
Complexity142
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1