1-Benzyl-2-(methoxycarbonyl)azetidine

C₁₂H₁₅NO₂CAS 18085-37-5205.26 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₁₂H₁₅NO₂
Molar mass: 205.26 g/mol
Exact mass: 205.1103 Da
logP: 1.43Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

18085-37-5

SMILES

COC(=O)C1CCN1Cc1ccccc1

InChIKey

CTFFWKWHYDAMKP-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO2/c1-15-12(14)11-7-8-13(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3

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

Names and synonyms

2 names

2-Azetidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester
2-Azetidinecarboxylic acid, 1-benzyl-, methyl ester

Work with 1-Benzyl-2-(methoxycarbonyl)azetidine

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

Methyl 1-benzylpiperidine-4-carboxylate10315-06-762 % similar Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-351 % similar 1-Benzyl-4-oxo-3-piperidinecarboxylic acid methyl ester monohydrochloride3939-01-350 % similar Methyl (αS)-α-hydroxybenzenepropanoate13673-95-549 % similar Phenylalanine methyl ester2577-90-449 % similar Methyl α-phenylbenzeneacetate3469-00-949 % similar 1-Benzyl 2-methyl piperazine-1,2-dicarboxylate126937-43-747 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-846 % similar

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

Same formula

N-Phenyl-isobutyloylacetamide124401-38-3 Methyl 4-pyrrolidin-1-ylbenzoate129414-26-2 3,4-Diethoxybenzeneacetonitrile27472-21-5 4-Phenyl-4-piperidinecarboxylic acid3627-45-0 4′-Morpholinoacetophenone39910-98-0 Ethyl 3-(phenylamino)-2-butenoate6287-35-0 N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-9

Elsewhere

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