Benzyl (2S)-4-oxoazetidine-2-carboxylate

C₁₁H₁₁NO₃CAS 72776-05-7205.21 g/mol

Open in Covalent MOL file

Amide Ester Lactam

Properties

Molecular formula: C₁₁H₁₁NO₃
Molar mass: 205.21 g/mol
Exact mass: 205.0739 Da
logP: 0.62Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

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

Identifiers

CAS number

72776-05-7

SMILES

C1[C@H](NC1=O)C(=O)OCC2=CC=CC=C2

InChIKey

WGLLBHSIXLWVFU-VIFPVBQESA-N

InChI

InChI=1S/C11H11NO3/c13-10-6-9(12-10)11(14)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m0/s1

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Names and synonyms

1 names

(S)-Benzyl 2-azetidinone-4-carboxylate

Work with Benzyl (2S)-4-oxoazetidine-2-carboxylate

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

Z-Asp-obzl4779-31-161 % similar (S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-459 % similar Benzyl N-((benzyloxy)carbonyl)-L-serinate21209-51-858 % similar Benzyl 3-oxocyclobutanecarboxylate198995-91-456 % similar N-Cbz-L-homoserine lactone35677-89-556 % similar Benzyl isobutyrate103-28-655 % similar L-Tartaric acid dibenzyl ester622-00-455 % similar L-Proline benzyl ester hydrochloride16652-71-455 % 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 Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-8 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

Elsewhere

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