(S)-Benzyl (2-oxooxetan-3-YL)carbamate

C₁₁H₁₁NO₄CAS 26054-60-4221.21 g/mol

Open in Covalent MOL file

Carbamate Ester Lactone

Properties

Molecular formula: C₁₁H₁₁NO₄
Molar mass: 221.21 g/mol
Exact mass: 221.0688 Da
logP: 0.84Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

26054-60-4

SMILES

C1[C@@H](C(=O)O1)NC(=O)OCC2=CC=CC=C2

InChIKey

CWFZPRQDHIUBDO-VIFPVBQESA-N

InChI

InChI=1S/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1

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Names and synonyms

1 names

N-Carbobenzoxy-L-serine beta-lactone

Work with (S)-Benzyl (2-oxooxetan-3-YL)carbamate

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

Benzyl N-((benzyloxy)carbonyl)-L-serinate21209-51-873 % similar O-tert-Butyl-N-carbobenzoxy-L-serine methyl ester1872-59-964 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-760 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-360 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-658 % similar Boc-D-ser-obzl141527-78-858 % similar 4-N-Cbz-cyclohexanone16801-63-157 % similar Z-D-Gln-oh13139-52-156 % similar

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

Same formula

2-Acetoacetylaminobenzoic acid35354-86-0 Ethyl m-nitrocinnamate5396-71-4 Ethyl 3-(4-nitrophenyl)-2-propenoate953-26-4

Elsewhere

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