3,3-dimethyl-5-oxidanylidene-5-(pyridin-2-ylamino)pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-(pyridin-2-ylamino)pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-(2-pyridylamino)pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-(2-pyridinylamino)pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-(2-pyridylamino)valeric acid Formula: C12H16N2O3 MolecularWeight: 236.26704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=CC=N1)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=CC=N1)CC(=O)O

InChI

InChI=1S/C12H16N2O3/c1-12(2,8-11(16)17)7-10(15)14-9-5-3-4-6-13-9/h3-6H,7-8H2,1-2H3,(H,16,17)(H,13,14,15)