3-[1,3-benzodioxol-5-yl(2-carboxyethyl)amino]propanoic acid

Systemtic Name: 3-[1,3-benzodioxol-5-yl(2-carboxyethyl)amino]propanoic acid Openeye Name: 3-[1,3-benzodioxol-5-yl(2-carboxyethyl)amino]propanoic acid CAS Name: 3-[1,3-benzodioxol-5-yl(2-carboxyethyl)amino]propanoic acid IUPAC Name: 3-[1,3-benzodioxol-5-yl(2-carboxyethyl)amino]propanoic acid Traditional Name: 3-[1,3-benzodioxol-5-yl(2-carboxyethyl)amino]propionic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C13H15NO6/c15-12(16)3-5-14(6-4-13(17)18)9-1-2-10-11(7-9)20-8-19-10/h1-2,7H,3-6,8H2,(H,15,16)(H,17,18)