Molecule ID: 92043310

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

Description: The molecule is an iron chelate resulting from the combination of equimolar amounts of iron(3+) and nitrilotriacetate(3-). It has a role as a carcinogenic agent and a mutagen. It contains a nitrilotriacetate(3-) and an iron(3+).

SMILES: O=C(O)CN(CC(=O)O)CC(=O)O.[Fe]

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

InChI: InChI=1S/C6H9NO6.Fe/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: nan