(2S)-2-azaniumyl-3-(1,3-benzodioxol-5-yl)-2-methyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(1,3-benzodioxol-5-yl)-2-methyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-(1,3-benzodioxol-5-yl)-2-methyl-propanoate CAS Name: (2S)-2-ammonio-3-(1,3-benzodioxol-5-yl)-2-methylpropanoate IUPAC Name: (2S)-2-azaniumyl-3-(1,3-benzodioxol-5-yl)-2-methylpropanoate Traditional Name: (2S)-2-ammonio-3-(1,3-benzodioxol-5-yl)-2-methyl-propionate Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)(C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@](CC1=CC2=C(C=C1)OCO2)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H13NO4/c1-11(12,10(13)14)5-7-2-3-8-9(4-7)16-6-15-8/h2-4H,5-6,12H2,1H3,(H,13,14)/t11-/m0/s1