Rel-(3R,4S)-3-(acetyloxy)-4-phenyl-2-azetidinone

C₁₁H₁₁NO₃CAS 133066-59-8205.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₁NO₃
Molar mass: 205.21 g/mol
Exact mass: 205.0739 Da
logP: 1.63Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

133066-59-8

SMILES

CC(=O)O[C@H]1C(O)=N[C@H]1c1ccccc1

InChIKey

YTBSMLRVFPHDOB-NLJMKPLXNA-N

InChI

InChI=1/C11H11NO3/c1-7(13)15-10-9(12-11(10)14)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,12,14)/t9-,10+/s2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

2-Azetidinone, 3-(acetyloxy)-4-phenyl-, (3R,4S)-rel-
2-Azetidinone, 3-(acetyloxy)-4-phenyl-, cis-(±)-
2-Azetidinone, 3-(acetyloxy)-4-phenyl-, cis-

Work with Rel-(3R,4S)-3-(acetyloxy)-4-phenyl-2-azetidinone

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

Phenylmethanediol diacetate581-55-553 % similar (-)-O-Acetylmandelic acid51019-43-352 % similar O-Acetylmandelic acid5438-68-652 % similar 1-Phenylethyl acetate93-92-550 % similar O-Acetylmandeloyl chloride1638-63-745 % similar 1-Phenyl-2-propanol acetate2114-33-240 % similar N-Acetyl-dl-phenylglycine15962-46-639 % similar (2R,3S)-N-Benzoyl-3-phenylisoserine methyl ester32981-85-438 % similar

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

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-8 Ethyl 5-aminobenzofuran-2-carboxylate174775-48-5 Indole-3-lactic acid1821-52-9 Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-1 3-Cyano-4-(1-methylethoxy)benzoic acid258273-31-3

Elsewhere

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