chempirical

Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate

C14H17NO3CAS 1027-35-6247.29 g/mol

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OONO
EsterKetoneTertiary amine

Properties

Molecular formula
C14H17NO3
Molar mass
247.29 g/mol
Exact mass
247.1208 Da
logP
1.25Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
1027-35-6
SMILES
CCOC(=O)C1CN(CC1=O)CC2=CC=CC=C2
InChIKey
XLKXIFXOWMGWNT-UHFFFAOYSA-N
InChI
InChI=1S/C14H17NO3/c1-2-18-14(17)12-9-15(10-13(12)16)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3

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Names and synonyms

1 names
  • Ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate

Work with Ethyl 1-benzyl-4-oxopyrrolidine-3-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

Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-780 % similar Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-074 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-173 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-860 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-858 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-857 % similar 1-Benzyl-4-oxo-3-piperidinecarboxylic acid methyl ester monohydrochloride3939-01-354 % similar Ethyl 2-benzylacetoacetate620-79-152 % similar

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

Same formula

4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-3 N-Ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline16357-59-8

Elsewhere

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