(2S)-2-[(3-fluorophenyl)methylazaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(3-fluorophenyl)methylazaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[(3-fluorophenyl)methylammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(3-fluorophenyl)methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(3-fluorophenyl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(3-fluorobenzyl)ammonio]-3-methyl-butyrate Formula: C12H16FNO2 MolecularWeight: 225.259343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]CC1=CC(=CC=C1)F

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH2+]CC1=CC(=CC=C1)F

InChI

InChI=1S/C12H16FNO2/c1-8(2)11(12(15)16)14-7-9-4-3-5-10(13)6-9/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)/t11-/m0/s1