3-(1,3-benzodioxol-5-ylamino)-2-methyl-propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-2-methyl-propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-2-methyl-propanoic acid CAS Name: 3-(1,3-benzodioxol-5-ylamino)-2-methylpropanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-2-methylpropanoic acid Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-2-methyl-propionic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CC(CNC1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C11H13NO4/c1-7(11(13)14)5-12-8-2-3-9-10(4-8)16-6-15-9/h2-4,7,12H,5-6H2,1H3,(H,13,14)