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CHEBI:116931 - nipecotic acid

ChEBI IDCHEBI:116931
ChEBI Namenipecotic acid
Stars
DefinitionA piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group.
Last Modified25 February 2016
DownloadsMolfile
FormulaC6H11NO2
Net Charge0
Average Mass129.159
Monoisotopic Mass129.07898
SMILESO=C(O)C1CCCNC1
InChIInChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyXJLSEXAGTJCILF-UHFFFAOYSA-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).
ChEBI Ontology
Outgoing Relation(s)
nipecotic acid (CHEBI:116931) is a piperidinemonocarboxylic acid (CHEBI:26148)
nipecotic acid (CHEBI:116931) is a β-amino acid (CHEBI:33706)
Incoming Relation(s)
(R)-nipecotic acid (CHEBI:221278) is a nipecotic acid (CHEBI:116931)
(S)-nipecotic acid (CHEBI:222169) is a nipecotic acid (CHEBI:116931)
IUPAC Name 
piperidine-3-carboxylic acid
Synonyms  Source
Piperidine-3-carboxylic acidChEMBL
hexahydronicotinic acidChEBI
3-piperidinecarboxylic acidChEBI
Manual XrefsDatabases
US3159639Patent
LSM-6517LINCS
Registry NumbersSources
Beilstein:81096Beilstein
Gmelin:1782986Gmelin
CAS:498-95-3ChemIDplus