Phenylmethyl (4S)-4-(1-methylethyl)-2,5-dioxo-3-oxazolidinecarboxylate

C₁₄H₁₅NO₅CAS 158257-41-1277.28 g/mol

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Acid anhydride Carbamate

Properties

Molecular formula: C₁₄H₁₅NO₅
Molar mass: 277.28 g/mol
Exact mass: 277.0950 Da
logP: 2.33Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

158257-41-1

SMILES

CC(C)[C@H]1C(=O)OC(=O)N1C(=O)OCc1ccccc1

InChIKey

PBXWOGVKYLPBQY-NSHDSACASA-N

InChI

InChI=1S/C14H15NO5/c1-9(2)11-12(16)20-14(18)15(11)13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1

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Names and synonyms

5 names

3-Oxazolidinecarboxylic acid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4S)-
3-Oxazolidinecarboxylic acid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (S)-
(S)-3-(Benzyloxycarbonyl)-4-isopropyl-2,5-oxazolidinedione
(S)-Benzyl 4-isopropyl-2,5-dioxooxazolidine-3-carboxylate
3-Oxazolidinecarboxylic acid 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester (4S)-

Work with Phenylmethyl (4S)-4-(1-methylethyl)-2,5-dioxo-3-oxazolidinecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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