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CHEBI:234461 - 4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid

ChEBI IDCHEBI:234461
ChEBI Name4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid
Stars
ASCII Name4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)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-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propan-1-amine. It is a nicotine hapten.
Last Modified17 June 2025
SubmitterAdnan
DownloadsMolfile
FormulaC17H25N3O3
Net Charge0
Average Mass319.405
Monoisotopic Mass319.18959
SMILES[H][C@@]1(c2cnccc2CCCNC(=O)CCC(=O)O)CCCN1C
InChIInChI=1S/C17H25N3O3/c1-20-11-3-5-15(20)14-12-18-10-8-13(14)4-2-9-19-16(21)6-7-17(22)23/h8,10,12,15H,2-7,9,11H2,1H3,(H,19,21)(H,22,23)/t15-/m0/s1
InChIKeyPXZUGVAVAZSVFE-HNNXBMFYSA-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-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid (CHEBI:234461) has functional parent succinic acid (CHEBI:15741)
4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid (CHEBI:234461) has role hapten (CHEBI:59174)
4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid (CHEBI:234461) is a N-alkylpyrrolidine (CHEBI:46775)
4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid (CHEBI:234461) is a dicarboxylic acid monoamide (CHEBI:35735)
4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid (CHEBI:234461) is a monocarboxylic acid (CHEBI:25384)
4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid (CHEBI:234461) is a pyridines (CHEBI:26421)
4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid (CHEBI:234461) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
4-[(3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-4-yl}propyl)amino]-4-oxobutanoic acid
Citations