5-Oxo-pyrrolidine-3-carboxylic acid methyl ester

C₆H₉NO₃CAS 35309-35-4143.14 g/mol

Open in Covalent MOL file

Amide Ester Lactam

Properties

Molecular formula: C₆H₉NO₃
Molar mass: 143.14 g/mol
Exact mass: 143.0582 Da
logP: -0.70Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

35309-35-4

SMILES

COC(=O)C1CC(=O)NC1

InChIKey

FJRTVLWHONLTLA-UHFFFAOYSA-N

InChI

InChI=1S/C6H9NO3/c1-10-6(9)4-2-5(8)7-3-4/h4H,2-3H2,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

1 names

Methyl 5-oxopyrrolidine-3-carboxylate

Work with 5-Oxo-pyrrolidine-3-carboxylic acid methyl ester

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

Methyl cyclopropanecarboxylate2868-37-352 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-252 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-052 % similar Methyl 3-oxocyclobutanecarboxylate695-95-452 % similar Methyl azetidine-3-carboxylate hydrochloride100202-39-952 % similar Methyl 3-methylenecyclobutanecarboxylate15963-40-348 % similar Methyl isonipecotate2971-79-148 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-148 % similar

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

Same formula

2-Methoxyethyl cyanoacetate10258-54-5 Trimethadione127-48-0 N-[2-Hydroxyethyl]succinimide18190-44-8 N-Methacryloylglycine23578-45-2 Valine N-carboxyanhydride24601-74-9 (S)-6-Oxo-2-piperidinecarboxylic acid34622-39-4 Methyl 2-acetamidoacrylate35356-70-8 6-Oxo-2-piperidinecarboxylic acid3770-22-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook