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

Systemtic Name: (2S)-2-[1,3-benzodioxol-5-yl(ethanoyl)amino]propanoic acid Openeye Name: (2S)-2-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid CAS Name: (2S)-2-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid IUPAC Name: (2S)-2-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid Traditional Name: (2S)-2-[acetyl(1,3-benzodioxol-5-yl)amino]propionic acid Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)O)N(C1=CC2=C(C=C1)OCO2)C(=O)C

InChI

InChI=1S/C12H13NO5/c1-7(12(15)16)13(8(2)14)9-3-4-10-11(5-9)18-6-17-10/h3-5,7H,6H2,1-2H3,(H,15,16)/t7-/m0/s1