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CHEBI:150863 - 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one(1+)

ChEBI IDCHEBI:150863
ChEBI Name3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one(1+)
Stars
DefinitionA primary ammonium ion that is the conjugate acid of 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one, obtained from the protonation of the primary amino group. Major species at pH 7.3.
Last Modified5 June 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H19N2O2
Net Charge+1
Average Mass235.307
Monoisotopic Mass235.14410
SMILESCC1(C)C(Cc2ccc(O)cc2)NC(=O)C1[NH3+]
InChIInChI=1S/C13H18N2O2/c1-13(2)10(15-12(17)11(13)14)7-8-3-5-9(16)6-4-8/h3-6,10-11,16H,7,14H2,1-2H3,(H,15,17)/p+1
InChIKeyMCRWIHVHOLDIFL-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one(1+) (CHEBI:150863) is a primary ammonium ion (CHEBI:65296)
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one(1+) (CHEBI:150863) is conjugate acid of 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one (CHEBI:153570)
Incoming Relation(s)
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one (CHEBI:153570) is conjugate base of 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one(1+) (CHEBI:150863)
IUPAC Name 
5-(4-hydroxybenzyl)-4,4-dimethyl-2-oxopyrrolidin-3-aminium
Synonyms  Source
5-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-2-oxopyrrolidin-3-aminiumIUPAC
AHDPMetaCyc
UniProt Name  Source
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-2-pyrrolidin-2-oneUniProt
Manual XrefsDatabases
CPD-22870MetaCyc
Citations