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CHEBI:40697 - (1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine

ChEBI IDCHEBI:40697
ChEBI Name(1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
Stars
ASCII Name(1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
Last Modified2 May 2013
DownloadsMolfile
FormulaC14H23N3O
Net Charge0
Average Mass249.358
Monoisotopic Mass249.18411
SMILESC#C[C@H]1CC[C@@H](CN)N1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1
InChIKeyXYVMJMYCUZCIPB-AVGNSLFASA-N
ChEBI Ontology
Outgoing Relation(s)
(1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine (CHEBI:40697) is a N-acylpyrrolidine (CHEBI:46766)
(1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine (CHEBI:40697) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
Synonym  Source
(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINEPDBeChem
Manual XrefsDatabases
AIAPDBeChem
DB07356DrugBank