Methyl N-benzyl-3-pyrrolidinecarboxylate

C₁₃H₁₇NO₂CAS 17012-21-4219.28 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₁₃H₁₇NO₂
Molar mass: 219.28 g/mol
Exact mass: 219.1259 Da
logP: 1.68Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

17012-21-4

SMILES

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

InChIKey

GDWFCUOFVSNTTG-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3

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Names and synonyms

1 names

Methyl 1-benzylpyrrolidine-3-carboxylate

Work with Methyl N-benzyl-3-pyrrolidinecarboxylate

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-carboxylate10315-06-784 % similar 4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-564 % similar 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-160 % similar 1-Benzyl-4-oxo-3-piperidinecarboxylic acid methyl ester monohydrochloride3939-01-360 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-860 % similar 1-Benzyl-2-(methoxycarbonyl)azetidine18085-37-559 % similar Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-359 % similar Methyl N-Cbz-piperidine-3-carboxylate174543-74-955 % similar

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

Same formula

1-(Phenylmethyl)-4-piperidinecarboxylic acid10315-07-8 α-Phenyl-2-piperidineacetic acid19395-41-6 2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile20850-49-1 cis-3-Hexenyl anthranilate65405-76-7 Cyclohexyl anthranilate7779-16-0

Elsewhere

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