Molecule

5-Oxo-2-pyrrolidinecarboxylic acid; (ξ)-form

AlkaPlorer ID: AK309047

Synonym: None

IUPAC Name: 5-oxopyrrolidine-2-carboxylate

SMILES: O=C1CCC(C(=O)[O-])N1

InChI: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1

InChIKey: ODHCTXKNWHHXJC-UHFFFAOYSA-M

PubChem CID: 21226158

CAS: 98-79-3

LOTUS: LTS0198996

NPASS: NPC317322

COCONUT: CNP0206174.4

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudostellaria heterophylla	Pseudostellaria	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Botryllus schlosseri	Botryllus	Styelidae	Stolidobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota
Aloe spicata	Aloe	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aloe ferox	Aloe	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aloe africana	Aloe	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 128.107

TPSA？: 69.23

MolLogP？: -1.9850999999999992

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli K-12	Beta-lactamase AmpC	Potency	39810.7	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	25929.0	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	58.6	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	6573.3	nM	None
None	ADMET	Hydrolysis rate	0.093	None	10.1021/jm00379a024
None	ADMET	Hydrolysis rate	0.206	None	10.1021/jm00379a024
None	ADMET	Hydrolysis rate	0.333	None	10.1021/jm00379a024
None	ADMET	Hydrolysis rate	0.586	None	10.1021/jm00379a024
None	Unchecked	Anticonvulsant activity	nan	None	10.1016/s0960-894x(03)00535-3
None	Unchecked	Potency	4466.8	nM	None