4-azanyl-3-(1H-azepin-3-yl)butanoic acid

Systemtic Name: 4-azanyl-3-(1H-azepin-3-yl)butanoic acid Openeye Name: 4-amino-3-(1H-azepin-3-yl)butanoic acid CAS Name: 4-amino-3-(1H-azepin-3-yl)butanoic acid IUPAC Name: 4-amino-3-(1H-azepin-3-yl)butanoic acid Traditional Name: 4-amino-3-(1H-azepin-3-yl)butyric acid Formula: C10H14N2O2 MolecularWeight: 194.23036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC=C1)C(CC(=O)O)CN

Isomeric SMILES

C1=CC(=CNC=C1)C(CC(=O)O)CN

InChI

InChI=1S/C10H14N2O2/c11-6-9(5-10(13)14)8-3-1-2-4-12-7-8/h1-4,7,9,12H,5-6,11H2,(H,13,14)