Methyl 2-oxo-1-pyrrolidineacetate

C₇H₁₁NO₃CAS 59776-88-4157.17 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
Boiling point: 144–148 °C (at 16 Torr)
logP: -0.22Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed95.3% of notifiers
H315 Causes skin irritation93% of notifiers
H318 Causes serious eye damage93% of notifiers
H335 May cause respiratory irritation93% of notifiers

Aggregated from 43 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59776-88-4

SMILES

COC(=O)CN1CCCC1=O

InChIKey

HPDZYDTXCOFUOY-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO3/c1-11-7(10)5-8-4-2-3-6(8)9/h2-5H2,1H3

Weigh it out

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

Names and synonyms

7 names

1-Pyrrolidineacetic acid, 2-oxo-, methyl ester
Methyl 2-pyrrolidone-1-acetate
2-Ketopyrrolidine-1-acetic acid methyl ester
1-(Methoxycarbonylmethyl)-2-pyrrolidone
Methyl 2-pyrrolidinon-1-ylacetate
Methyl 2-(2-oxo-1-pyrrolidinyl)acetate
(2-Oxopyrrolidin-1-yl)acetic acid methyl ester

Work with Methyl 2-oxo-1-pyrrolidineacetate

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

N-Ethyl-2-pyrrolidone2687-91-450 % similar 2-(2-Oxopyrrolidin-1-yl)acetic acid53934-76-250 % similar N-Butyl-2-pyrrolidone3470-98-248 % similar Dimethyl glutarate1119-40-048 % similar Piracetam7491-74-947 % similar Dimethyladipate627-93-047 % similar N-Octylpyrrolidone2687-94-746 % similar N-Dodecyl-2-pyrrolidone2687-96-946 % similar

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

Same formula

Ac-dl-pro-oh1074-79-9 Ethyl (3R)-4-cyano-3-hydroxybutanoate141942-85-0 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 Ethyl 2-oxopyrrolidine-3-carboxylate36821-26-8 N-Acetyl-D-proline59785-68-1

Elsewhere

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