Ethyl 1-benzylpyrrolidine-3-carboxylate

C₁₄H₁₉NO₂CAS 5747-92-2233.31 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₁₄H₁₉NO₂
Molar mass: 233.31 g/mol
Exact mass: 233.1416 Da
logP: 2.07Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

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

5747-92-2

SMILES

CCOC(=O)C1CCN(C1)CC2=CC=CC=C2

InChIKey

CYPXEPWPTXKUPL-UHFFFAOYSA-N

InChI

InChI=1S/C14H19NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3

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Work with Ethyl 1-benzylpyrrolidine-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 1-benzylpiperidine-3-carboxylate72551-53-286 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-885 % similar Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-472 % similar Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-766 % similar Ethyl 1,4-dibenzylpiperazine-2-carboxylate72351-59-866 % similar Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-062 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-161 % similar Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-660 % similar

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

Same formula

Methyl 1-benzylpiperidine-4-carboxylate10315-06-7 4-(2-(Piperidin-1-yl)ethoxy)benzaldehyde26815-04-3 tert-Butyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate77497-74-6

Elsewhere

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