ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate

C12H13NO4 — CID 13049202

IUPACethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1NC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C12H13NO4/c1-2-16-11(14)9-10(17-12(15)13-9)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyCBMKQFLEECGXRA-NXEZZACHSA-N
MW235.24 g/mol
LogP1.40
Rot. Bonds3

About ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate

ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (PubChem CID 13049202) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
PubChem CID13049202
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Nameethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1NC(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C12H13NO4/c1-2-16-11(14)9-10(17-12(15)13-9)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyCBMKQFLEECGXRA-NXEZZACHSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyloxycarbonyl-L-phenylalanine
CID 70878
IN2-(benzyloxycarbonyl)-N6-(tert-butoxycarbonyl)-L-lysine
CID 98765
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
N-benzyloxycarbonyl-DL-3-phenylalanine
CID 100081
N-(Benzyloxycarbonyl)-D-phenylalanine
CID 675678
benzyl N-(2-oxooxolan-3-yl)carbamate
CID 301122
L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
CID 90234
N-[(Phenylmethoxy)carbonyl]-L-phenylalanyl-L-proline methyl ester
CID 11090880
Ethyl ((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)acetate
CID 381816
Ethyl ((benzyloxy)carbonyl)-L-phenylalanylglycinate
CID 12628842
Alanine, N-benzyloxycarbonyl-3-phenyl-, cyanomethyl ester, L-
CID 24313
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (CID 13049202) is ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is CCOC(=O)[C@@H]1NC(=O)O[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is CBMKQFLEECGXRA-NXEZZACHSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-16-11(14)9-10(17-12(15)13-9)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 13049202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).