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CHEBI:233616 - [1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate

ChEBI IDCHEBI:233616
ChEBI Name[1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate
Stars
DefinitionAn N-alkylpyrrolidine that is 1-methylpyrrolidine substituted by pyridin-3-yl and {[4-(ethylamino)-4-oxobutanoyl]oxy}methyl groups at positions 2 and 3, respectively.
Last Modified4 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC17H25N3O3
Net Charge0
Average Mass319.405
Monoisotopic Mass319.18959
SMILESCCNC(=O)CCC(=O)OCC1CCN(C)C1c1cccnc1
InChIInChI=1S/C17H25N3O3/c1-3-19-15(21)6-7-16(22)23-12-14-8-10-20(2)17(14)13-5-4-9-18-11-13/h4-5,9,11,14,17H,3,6-8,10,12H2,1-2H3,(H,19,21)
InChIKeyWOXOYXFKTXCZIL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate (CHEBI:233616) is a N-alkylpyrrolidine (CHEBI:46775)
[1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate (CHEBI:233616) is a carboxylic ester (CHEBI:33308)
[1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate (CHEBI:233616) is a pyridines (CHEBI:26421)
[1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate (CHEBI:233616) is a secondary carboxamide (CHEBI:140325)
Incoming Relation(s)
(2R,3R)-NLD (CHEBI:233612) is a [1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate (CHEBI:233616)
(2S,3S)-NLD (CHEBI:233613) is a [1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate (CHEBI:233616)
IUPAC Name 
[1-methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-(ethylamino)-4-oxobutanoate
Synonym  Source
nicotine-11-yl-methyl-(4-ethylamino-4-oxo)-butanoateChEBI