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

C11H11NO3CAS 133066-59-8205.21 g/mol

Open in Covalent MOL file
OOONH
Ester

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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 (+)-O-Acetyl-L-mandelic Acid7322-88-552 % similar 1-Phenylethyl acetate93-92-550 % similar (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid158722-22-648 % similar (R)-(+)-2-Hydroxy-1,2,2-triphenylethyl acetate95061-47-546 % similar (S)-(-)-2-Hydroxy-1,2,2-triphenylethyl acetate95061-51-146 % 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 7-Amino-4-(methoxymethyl)-2H-chromen-2-one175205-10-4 Indole-3-lactic acid1821-52-9 (3-(4-Methoxyphenyl)-1,2-oxazol-5-yl)methanol206055-86-9

Elsewhere

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