Molecule ID: 124202376

IUPAC Name: (2S)-2-[[(2S)-2-amino-2-carboxylatoethyl]azaniumyl]pentanedioate

Description: The molecule is a tricarboxylic acid dianion obtained by deprotonation of the three carboxy groups and protonation of the secondary amino group of N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid.

SMILES: N[C@@H](CN[C@@H](CCC(=O)[O-])C(=O)O)C(=O)[O-]

SELFIES: [N][C@@H1][Branch2][Ring1][C][C][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C8H14N2O6/c9-4(7(13)14)3-10-5(8(15)16)1-2-6(11)12/h4-5,10H,1-3,9H2,(H,11,12)(H,13,14)(H,15,16)/p-2/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 163.0 Ų
- LogP: -4.6