EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:153570 - 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one

ChEBI IDCHEBI:153570
ChEBI Name3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one
Stars
DefinitionA member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one which is substituted by an amino group at position 3, by two methyl groups at position 4 and by a 4-hydroxybenzyl group at position 5. It is a biosynthetic precursor in the synthesis of mycofactocin.
Last Modified5 June 2020
SubmitterAdnan
DownloadsMolfile
FormulaC13H18N2O2
Net Charge0
Average Mass234.299
Monoisotopic Mass234.13683
SMILESCC1(C)C(Cc2ccc(O)cc2)NC(=O)C1N
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)
InChIKeyMCRWIHVHOLDIFL-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)
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one (CHEBI:153570) is a aminopyrrolidine (CHEBI:46769)
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one (CHEBI:153570) is a phenols (CHEBI:33853)
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one (CHEBI:153570) is a primary amino compound (CHEBI:50994)
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one (CHEBI:153570) is a pyrrolidin-2-ones (CHEBI:74223)
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)
Incoming Relation(s)
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)
IUPAC Name 
3-amino-5-(4-hydroxybenzyl)-4,4-dimethylpyrrolidin-2-one
Synonym  Source
3-amino-5-[(p-hydroxyphenyl) methyl]-4,4-dimethyl-2-pyrrolidinoneChEBI
Citations