(3R)-3-(2-methylpropylazaniumyl)-3-phenyl-propanoate

Systemtic Name: (3R)-3-(2-methylpropylazaniumyl)-3-phenyl-propanoate Openeye Name: (3R)-3-(isobutylammonio)-3-phenyl-propanoate CAS Name: (3R)-3-(2-methylpropylammonio)-3-phenylpropanoate IUPAC Name: (3R)-3-(2-methylpropylazaniumyl)-3-phenylpropanoate Traditional Name: (3R)-3-(isobutylammonio)-3-phenyl-propionate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-10(2)9-14-12(8-13(15)16)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16)/t12-/m1/s1