1-(4-Chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid

C₁₁H₁₀ClNO₃CAS 39629-87-3239.66 g/mol

Open in Covalent MOL file

Amide Aryl halide Carboxylic acid Lactam

Properties

Molecular formula: C₁₁H₁₀ClNO₃
Molar mass: 239.66 g/mol
Exact mass: 239.0349 Da
Melting point: 150–151 °C
logP: 1.78Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

39629-87-3

SMILES

O=C(O)C1CC(=O)N(c2ccc(Cl)cc2)C1

InChIKey

QPYOMMCYFFZXIT-UHFFFAOYSA-N

InChI

InChI=1S/C11H10ClNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)

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Names and synonyms

2 names

3-Pyrrolidinecarboxylic acid, 1-(4-chlorophenyl)-5-oxo-
3-Pyrrolidinecarboxylic acid, 1-(p-chlorophenyl)-5-oxo-

Work with 1-(4-Chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid

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

1-[(4-Chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid96449-92-267 % similar trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid49708-81-851 % similar 4-(4-Chlorophenyl)cyclohexanecarboxylic acid95233-37-751 % similar 5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid5733-86-849 % similar 1-Methyl-4-carboxy-2-pyrrolidone42346-68-948 % similar 4-Chloromandelic acid492-86-444 % similar 4-Chloromandelic acid7138-34-344 % similar 4-Chloro-L-phenylalanine14173-39-843 % similar

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

Elsewhere

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