(3S)-3-azaniumyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[2-(o-tolyl)pyrimidin-5-yl]propanoate CAS Name: (3S)-3-ammonio-3-[2-(2-methylphenyl)-5-pyrimidinyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[2-(o-tolyl)pyrimidin-5-yl]propionate Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=C(C=N2)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C2=NC=C(C=N2)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C14H15N3O2/c1-9-4-2-3-5-11(9)14-16-7-10(8-17-14)12(15)6-13(18)19/h2-5,7-8,12H,6,15H2,1H3,(H,18,19)/t12-/m0/s1