3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoic acid

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoic acid CAS Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoic acid IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propionic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NCCC(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NCCC(=O)O

InChI

InChI=1S/C12H15NO4/c1-8(13-5-4-12(14)15)9-2-3-10-11(6-9)17-7-16-10/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15)