Molecule ID: 167782

IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid

Description: The molecule is an ethylenediamine derivative in which three of the four amine protons of ethylenediamine are replaced by carboxymethyl groups. It has a role as a chelator and a bacterial xenobiotic metabolite. It is an ethylenediamine derivative, a polyamino carboxylic acid, a tricarboxylic acid and a glycine derivative. It is a conjugate acid of an ethylenediaminetriacetate(2-).

SMILES: O=C(O)CNCCN(CC(=O)O)CC(=O)O

SELFIES: [O][=C][Branch1][C][O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H14N2O6/c11-6(12)3-9-1-2-10(4-7(13)14)5-8(15)16/h9H,1-5H2,(H,11,12)(H,13,14)(H,15,16)

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -5.9