(2S)-2-(pyridin-4-ylmethylamino)pentanedioic acid

Systemtic Name: (2S)-2-(pyridin-4-ylmethylamino)pentanedioic acid Openeye Name: (2S)-2-(4-pyridylmethylamino)pentanedioic acid CAS Name: (2S)-2-(pyridin-4-ylmethylamino)pentanedioic acid IUPAC Name: (2S)-2-(pyridin-4-ylmethylamino)pentanedioic acid Traditional Name: (2S)-2-(4-pyridylmethylamino)glutaric acid Formula: C11H14N2O4 MolecularWeight: 238.23986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CN=CC=C1CN[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C11H14N2O4/c14-10(15)2-1-9(11(16)17)13-7-8-3-5-12-6-4-8/h3-6,9,13H,1-2,7H2,(H,14,15)(H,16,17)/t9-/m0/s1