Ethyl N-cbz-4-oxopyrrolidine-3-carboxylate

C15H17NO5CAS 51814-19-8291.30 g/mol

Open in Covalent MOL file
OONOOO
CarbamateEsterKetone

Properties

Molecular formula
C15H17NO5
Molar mass
291.30 g/mol
Exact mass
291.1107 Da
logP
1.39Crippen estimate
Polar surface area
72.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
51814-19-8
SMILES
CCOC(=O)C1CN(CC1=O)C(=O)OCC2=CC=CC=C2
InChIKey
FRNZCPLVDNHRIH-UHFFFAOYSA-N
InChI
InChI=1S/C15H17NO5/c1-2-20-14(18)12-8-16(9-13(12)17)15(19)21-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3

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Names and synonyms

1 names
  • 1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

Work with Ethyl N-cbz-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 1-benzyl-4-oxopyrrolidine-3-carboxylate1027-35-664 % similar 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate146256-98-659 % similar Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-757 % similar Methyl 1-cbz-azetidine-3-carboxylate757239-60-454 % similar Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride52763-21-054 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-853 % similar Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1454-53-153 % similar 1,3-Diethyl 2-(2-phenylethyl)propanedioate6628-68-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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