Molecule ID: 12086047

IUPAC Name: 4-[(2S)-2-amino-2-carboxyethoxy]-4-oxobutanoic acid

Description: The molecule is a dicarboxylic acid monoester obtained by formal condensation of one of the carboxy groups of succinic acid with the side-chain hydroxy group of L-serine. It is an intermediate in the biosynthesis of the amino acid cysteine in fungi and bacteria. It has a role as an EC 2.5.1.48 (cystathionine gamma-synthase) inhibitor. It is a L-serine derivative, an amino dicarboxylic acid and a hemisuccinate. It is a conjugate acid of an O-succinyl-L-serinate(1-).

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

SELFIES: [N][C@@H1][Branch1][=C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H11NO6/c8-4(7(12)13)3-14-6(11)2-1-5(9)10/h4H,1-3,8H2,(H,9,10)(H,12,13)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -4.0