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

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ChEBI Name 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one(1+)
ChEBI ID CHEBI:150863
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C13H19N2O2
Net Charge +1
Average Mass 235.306
Monoisotopic Mass 235.14410
InChI InChI=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
InChIKey MCRWIHVHOLDIFL-UHFFFAOYSA-O
SMILES C1(C(NC(C1[NH3+])=O)CC=2C=CC(=CC2)O)(C)C
ChEBI Ontology
Outgoing 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 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 Sources
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-2-pyrrolidin-2-one UniProt
5-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-2-oxopyrrolidin-3-aminium IUPAC
AHDP
Note: (2020-06-05) Used as an abbreviation in some journal articles.
 MetaCyc
Manual Xref Database
CPD-22870 MetaCyc
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Citations Waiting for Citations Types Sources
30183269 PubMed citation Europe PMC
31381312 PubMed citation SUBMITTER
Last Modified
05 June 2020