1-(Naphthalen-1-yl)-5-oxopyrrolidine-3-carboxylic acid

C₁₅H₁₃NO₃CAS 340319-91-7255.27 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam

Properties

Molecular formula: C₁₅H₁₃NO₃
Molar mass: 255.27 g/mol
Exact mass: 255.0895 Da
logP: 2.28Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

340319-91-7

SMILES

C1C(CN(C1=O)C2=CC=CC3=CC=CC=C32)C(=O)O

InChIKey

XARHILSRKCHUAE-UHFFFAOYSA-N

InChI

InChI=1S/C15H13NO3/c17-14-8-11(15(18)19)9-16(14)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H,18,19)

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Names and synonyms

1 names

1-Naphthalen-1-yl-5-oxo-pyrrolidine-3-carboxylic acid

Work with 1-(Naphthalen-1-yl)-5-oxopyrrolidine-3-carboxylic 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)-5-oxopyrrolidine-3-carboxylic acid39629-87-358 % similar 1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid133747-57-653 % similar 5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid5733-86-850 % similar 1-[(4-Chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid96449-92-244 % similar Dl-3-(1-naphthyl)alanine28095-56-943 % similar L-1-Naphthylalanine55516-54-643 % similar D-1-Naphthylalanine78306-92-043 % similar 1-Benzhydrylazetidine-3-carboxylic acid36476-87-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9-Fluorenylmethyl N-hydroxycarbamate190656-01-0 (±)-Pranoprofen52549-17-4 Ketorolac74103-06-3

Elsewhere

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