3-(1,3-benzodioxol-4-ylmethylamino)propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-4-ylmethylamino)propanoic acid Openeye Name: 3-(1,3-benzodioxol-4-ylmethylamino)propanoic acid CAS Name: 3-(1,3-benzodioxol-4-ylmethylamino)propanoic acid IUPAC Name: 3-(1,3-benzodioxol-4-ylmethylamino)propanoic acid Traditional Name: 3-(1,3-benzodioxol-4-ylmethylamino)propionic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CNCCC(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CNCCC(=O)O

InChI

InChI=1S/C11H13NO4/c13-10(14)4-5-12-6-8-2-1-3-9-11(8)16-7-15-9/h1-3,12H,4-7H2,(H,13,14)