Molecule ID: 5147705

IUPAC Name: 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate

Description: The molecule is the tetracarboxylic acid anion formed by deprotonation of three of the four carboxy groups in ethylenediaminetetraacetic acid (EDTA). It is a conjugate base of an EDTA(2-).

SMILES: O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-]

SELFIES: [O][=C][Branch1][C][O-1][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-3

Molecular Properties:
- Polar Surface Area: 164.0 Ų
- LogP: -3.9