(R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate

C₁₂H₁₃NO₄CAS 118399-28-3235.24 g/mol

Open in Covalent MOL file

Carbamate Ester Lactone

Properties

Molecular formula: C₁₂H₁₃NO₄
Molar mass: 235.24 g/mol
Exact mass: 235.0845 Da
logP: 1.23Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

118399-28-3

SMILES

C1[C@H](COC1=O)NC(=O)OCC2=CC=CC=C2

InChIKey

BNIBNUOPVTZWRT-SNVBAGLBSA-N

InChI

InChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m1/s1

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Names and synonyms

1 names

Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate

Work with (R)-Benzyl (5-oxotetrahydrofuran-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 3-oxocyclobutylcarbamate130369-36-767 % similar S-3-Cbz-amino pyrrolidine-hcl1217631-74-754 % similar Benzyl isovalerate103-38-854 % similar Dibenzyl succinate103-43-550 % similar Dibenzyl malonate15014-25-250 % similar Benzyl phenylacetate102-16-949 % similar Benzyl butyrate103-37-748 % similar Z-Asn(trt)-oh132388-57-947 % similar

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

Same formula

(R)-4-Benzyl-5-oxo-3-morpholinecarboxylic acid106973-36-8 (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-8 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-5 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-7

Elsewhere

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