(2S)-2-azaniumyl-3-(1,5-dimethylpyrazol-4-yl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(1,5-dimethylpyrazol-4-yl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(1,5-dimethylpyrazol-4-yl)propanoate CAS Name: (2S)-2-ammonio-3-(1,5-dimethyl-4-pyrazolyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(1,5-dimethylpyrazol-4-yl)propanoate Traditional Name: (2S)-2-ammonio-3-(1,5-dimethylpyrazol-4-yl)propionate Formula: C8H13N3O2 MolecularWeight: 183.20772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=C(C=NN1C)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C8H13N3O2/c1-5-6(4-10-11(5)2)3-7(9)8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13)/t7-/m0/s1