CHEBI:194687 - 3-(4-Chloroanilino)propanoic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-(4-Chloroanilino)propanoic acid
ChEBI ID CHEBI:194687
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H10ClNO2
Net Charge 0
Average Mass 199.630
Monoisotopic Mass 199.04001
InChI InChI=1S/C9H10ClNO2/c10-7-1-3-8(4-2-7)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKey YQOYIDOVKCGQTJ-UHFFFAOYSA-N
SMILES ClC1=CC=C(NCCC(O)=O)C=C1
ChEBI Ontology
Outgoing 3-(4-Chloroanilino)propanoic acid (CHEBI:194687) has functional parent β-amino acid (CHEBI:33706)
3-(4-Chloroanilino)propanoic acid (CHEBI:194687) is a organonitrogen compound (CHEBI:35352)
3-(4-Chloroanilino)propanoic acid (CHEBI:194687) is a organooxygen compound (CHEBI:36963)
IUPAC Name
3-(4-chloroanilino)propanoic acid
Manual Xrefs Databases
2009820 ChemSpider
D86561 KEGG DRUG
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