(2S)-2-azaniumyl-3-(3-methoxy-5-oxidanyl-phenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3-methoxy-5-oxidanyl-phenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3-hydroxy-5-methoxy-phenyl)propanoate CAS Name: (2S)-2-ammonio-3-(3-hydroxy-5-methoxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(3-hydroxy-5-methoxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(3-hydroxy-5-methoxy-phenyl)propionate Formula: C10H13NO4 MolecularWeight: 211.21452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)O)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

COC1=CC(=CC(=C1)O)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C10H13NO4/c1-15-8-3-6(2-7(12)5-8)4-9(11)10(13)14/h2-3,5,9,12H,4,11H2,1H3,(H,13,14)/t9-/m0/s1