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CHEBI:195432 - BFNP

ChEBI IDCHEBI:195432
ChEBI NameBFNP
Stars
Last Modified19 July 2023
SubmitterAdnan
DownloadsMolfile
FormulaC14H17NO5
Net Charge0
Average Mass279.292
Monoisotopic Mass279.11067
SMILESCC1(C)Cc2cccc(OC(=O)NCCC(=O)O)c2O1
InChIInChI=1S/C14H17NO5/c1-14(2)8-9-4-3-5-10(12(9)20-14)19-13(18)15-7-6-11(16)17/h3-5H,6-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyGMBLQOVJCJHRLE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
BFNP (CHEBI:195432) has role hapten (CHEBI:59174)
BFNP (CHEBI:195432) is a 1-benzofurans (CHEBI:38830)
BFNP (CHEBI:195432) is a carbamate ester (CHEBI:23003)
BFNP (CHEBI:195432) is a monocarboxylic acid (CHEBI:25384)
BFNP (CHEBI:195432) is a β-alanine derivative (CHEBI:22823)
IUPAC Name 
N-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}-β-alanine
Synonyms  Source
3-({[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}amino)propanoic acidIUPAC
3-[[(2,3-dihydro-2,2-dimethyl-7-benzofuranyloxy)carbonyl]-amino]propanoic acidChEBI
Citations