Basic information
- Standard SMILES
CC(=O)NCC(=O)O.Cc1ccc(C(=O)c2cccn2C)cc1- InChIKey
GZQHOTPDLORUIU-UHFFFAOYSA-N- Molecular formula
- C17H20N2O4
- Average molar mass
- 316.35 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-5-p-toluoylpyrrole 2-acetamidoacetic acid
- IUPAC
- 2-acetamidoacetic acid;(4-methylphenyl)-(1-methylpyrrol-2-yl)methanone
Names & synonyms
GZQHOTPDLORUIU-UHFFFAOYSA-N1-methyl-5-p-toluoylpyrrole 2-acetamidoacetic acid
Database identifiers
- PubChem CID
- 86740698
Properties
Computed structural properties
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 341
Related reactions
2 records
Compound notes
Loading…