(R)-4-Methyloxazolidine-2,5-dione

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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

(R)-4-Methyloxazolidine-2,5-dione

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 Formula	C₄H₅NO₃
Molecular Weight	115.09 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	55.4
Heavy Atom Count	8
Formal Charge	0
Complexity	142
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