CHEBI:68528 - 3-amino-3-phenylpropanoic acid

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ChEBI Name 3-amino-3-phenylpropanoic acid ChEBI ID CHEBI:68528 Definition A β-amino acid that is β-alanine substituted at position 3 by a phenyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H11NO2 Net Charge 0 Average Mass 165.18910 Monoisotopic Mass 165.07898 InChI InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) InChIKey UJOYFRCOTPUKAK-UHFFFAOYSA-N SMILES NC(CC(O)=O)c1ccccc1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-amino-3-phenylpropanoic acid (CHEBI:68528) is a β-amino acid (CHEBI:33706) 3-amino-3-phenylpropanoic acid (CHEBI:68528) is tautomer of 3-ammonio-3-phenylpropanoate (CHEBI:68527) Incoming (R)-3-amino-3-phenylpropanoic acid (CHEBI:67172) is a 3-amino-3-phenylpropanoic acid (CHEBI:68528) (S)-3-amino-3-phenylpropanoic acid (CHEBI:68525) is a 3-amino-3-phenylpropanoic acid (CHEBI:68528) 3-ammonio-3-phenylpropanoate (CHEBI:68527) is tautomer of 3-amino-3-phenylpropanoic acid (CHEBI:68528) IUPAC Name 3-amino-3-phenylpropanoic acid Synonyms Sources 3-Amino-3-phenylpropionic acid ChemIDplus β-phenyl-β-alanine ChEBI beta-Phenyl-beta-alanine ChemIDplus β-phenylalanine ChEBI Registry Numbers Types Sources 1664-54-6 CAS Registry Number ChemIDplus 2803286 Reaxys Registry Number Reaxys 614-19-7 CAS Registry Number ChemIDplus Last Modified 26 September 2012