Molecule ID: 61975

IUPAC Name: 2-[2-(carboxymethylamino)ethylamino]acetic acid

Description: The molecule is an ethylenediamine derivative in which two 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 glycine derivative, a polyamino carboxylic acid and an amino dicarboxylic acid. It is a conjugate acid of an ethylenediaminediacetate(1-).

SMILES: O=C(O)CNCCNCC(=O)O

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

InChI: InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 98.7 Ų
- LogP: -6.0