Ethyl 2-oxopyrrolidine-3-carboxylate

C₇H₁₁NO₃CAS 36821-26-8157.17 g/mol

Open in Covalent MOL file

Amide Ester Lactam

Properties

Molecular formula: C₇H₁₁NO₃
Molar mass: 157.17 g/mol
Exact mass: 157.0739 Da
logP: -0.31Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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

36821-26-8

SMILES

CCOC(=O)C1CCNC1=O

InChIKey

FHHMWJMUMOYGQW-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-8-6(5)9/h5H,2-4H2,1H3,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Oxo-pyrrolidine-3-carboxylic acid ethyl ester

Work with Ethyl 2-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

Propylmalonic acid diethyl ester2163-48-655 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-153 % similar Ethyl isonipecotate1126-09-651 % similar 1,3-Diethyl 2-butylpropanedioate133-08-451 % similar Diethyl isoamylmalonate5398-08-351 % similar Diethyl isobutylmalonate10203-58-450 % similar Ethyl cyclopropanecarboxylate4606-07-950 % similar Diethyl succinylsuccinate787-07-550 % similar

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

Same formula

Ac-dl-pro-oh1074-79-9 Ethyl (R)-4-cyano-3-hydroxybutyrate141942-85-0 1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-2 Butyl 2-isocyanatoacetate17046-22-9 Ethyl (3S)-4-cyano-3-hydroxybutanoate312745-91-8 2-Ethoxyethyl 2-cyanoacetate32804-77-6 Methyl 2-oxo-1-pyrrolidineacetate59776-88-4 N-Acetyl-D-proline59785-68-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook