chempirical

2-Oxo-1-pyrrolidineacetic acid

C6H9NO3CAS 53934-76-2143.14 g/mol

Open in Covalent MOL file
OHONO
AmideCarboxylic acidLactam

Properties

Molecular formula
C6H9NO3
Molar mass
143.14 g/mol
Exact mass
143.0582 Da
Melting point
143 °C
logP
-0.31Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
53934-76-2
SMILES
O=C(O)CN1CCCC1=O
InChIKey
JGPIWNNFLKDTSR-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO3/c8-5-2-1-3-7(5)4-6(9)10/h1-4H2,(H,9,10)

Weigh it out

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

Names and synonyms

4 names
  • 1-Pyrrolidineacetic acid, 2-oxo-
  • 2-Pyrrolidinoneacetic acid
  • (2-Oxopyrrolidin-1-yl)acetic acid
  • 2-Pyrrolidinon-1-ylacetic acid

Work with 2-Oxo-1-pyrrolidineacetic 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

Piracetam7491-74-961 % similar N-(Hydroxymethyl)-2-pyrrolidone15438-71-855 % similar 1-(2-Hydroxyethyl)-2-pyrrolidinone3445-11-253 % similar 1-(3-Hydroxypropyl)-2-pyrrolidinone62012-15-153 % similar N-Ethyl-2-pyrrolidone2687-91-450 % similar Methyl 2-oxo-1-pyrrolidineacetate59776-88-450 % similar N-Butyl-2-pyrrolidone3470-98-248 % similar 1-(3-Aminopropyl)-2-pyrrolidinone7663-77-648 % similar

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

Same formula

2-Methoxyethyl cyanoacetate10258-54-5 Trimethadione127-48-0 Valine N-carboxyanhydride24601-74-9 Methyl 2-acetamidoacrylate35356-70-8 6-Oxo-2-piperidinecarboxylic acid3770-22-7 1-Methyl-4-carboxy-2-pyrrolidone42346-68-9 Methyl pyroglutamate4931-66-2 Ethyl 3-isocyanatopropanoate5100-34-5

Elsewhere

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