Molecule ID: 117765

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

Description: The molecule is a tricarboxylic acid amide that is a Good's buffer substance, pKa = 6.6 at 20 鈩? It is a dicarboxylic acid, a tricarboxylic acid amide and an ADA. It derives from a nitrilotriacetic acid. It is a conjugate acid of a 2,2'-[(2-amino-2-oxoethyl)imino]diacetate(1-).

SMILES: N=C(O)CN(CC(=O)O)CC(=O)O

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

InChI: InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -3.9