3-[[3,4-bis(oxidanyl)phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methylamino]propanoic acid Openeye Name: 3-[(3,4-dihydroxyphenyl)methylamino]propanoic acid CAS Name: 3-[(3,4-dihydroxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(3,4-dihydroxyphenyl)methylamino]propanoic acid Traditional Name: 3-(protocatechuylamino)propionic acid Formula: C10H13NO4 MolecularWeight: 211.21452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNCCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNCCC(=O)O)O)O

InChI

InChI=1S/C10H13NO4/c12-8-2-1-7(5-9(8)13)6-11-4-3-10(14)15/h1-2,5,11-13H,3-4,6H2,(H,14,15)