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CHEBI:234460 - 4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid

ChEBI IDCHEBI:234460
ChEBI Name4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid
Stars
ASCII Name4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid
DefinitionA secondary carboxamide resulting from the formal condensation of one of the carboxy groups of succinic acid with the primary amino group of (−)-3'-AmNic. It is a nicotine hapten.
Last Modified17 June 2025
SubmitterAdnan
DownloadsMolfile
FormulaC15H21N3O3
Net Charge0
Average Mass291.351
Monoisotopic Mass291.15829
SMILES[H][C@@]1(c2cccnc2)[C@@H](CNC(=O)CCC(=O)O)CCN1C
InChIInChI=1S/C15H21N3O3/c1-18-8-6-12(10-17-13(19)4-5-14(20)21)15(18)11-3-2-7-16-9-11/h2-3,7,9,12,15H,4-6,8,10H2,1H3,(H,17,19)(H,20,21)/t12-,15-/m1/s1
InChIKeyYTNYMBQQSMYFMU-IUODEOHRSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid (CHEBI:234460) has functional parent (−)-3'-AmNic (CHEBI:234410)
4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid (CHEBI:234460) has functional parent succinic acid (CHEBI:15741)
4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid (CHEBI:234460) has role hapten (CHEBI:59174)
4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid (CHEBI:234460) is a N-alkylpyrrolidine (CHEBI:46775)
4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid (CHEBI:234460) is a dicarboxylic acid monoamide (CHEBI:35735)
4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid (CHEBI:234460) is a monocarboxylic acid (CHEBI:25384)
4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid (CHEBI:234460) is a pyridines (CHEBI:26421)
4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid (CHEBI:234460) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
4-({[(2S,3R)-1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl}amino)-4-oxobutanoic acid
Citations