Molecule ID: 70678746

IUPAC Name: 3-[(1-hydroxy-4-methylpyrrole-2-carbonyl)amino]propanoic acid

Description: The molecule is a pyrrolecarboxamide obtained by the formal condensation of 1-hydroxy-4-methyl-1H-pyrrole-2-carboxylic acid with the amino group of 3-aminopropanoic acid. It is isolated from the culture broth of Streptomyces sp.USF-6280 and exhibits DPPH radical scavenging activity. It has a role as a metabolite and a radical scavenger. It is a monocarboxylic acid, a N-hydroxypyrrole, a pyrrolecarboxamide and a beta-alanine derivative.

SMILES: Cc1cc(C(=O)NCCC(=O)O)n(O)c1

SELFIES: [C][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][N][Branch1][C][O][C][=Ring1][=C]

InChI: InChI=1S/C9H12N2O4/c1-6-4-7(11(15)5-6)9(14)10-3-2-8(12)13/h4-5,15H,2-3H2,1H3,(H,10,14)(H,12,13)

Molecular Properties:
- Polar Surface Area: 91.6 Ų
- LogP: 0.8