Basic information
- Standard SMILES
CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1- InChIKey
ABRBIJBQGQNZBI-INIZCTEOSA-N- Molecular formula
- C19H19N3O5
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.13247072
Names & identifiers
- Preferred name
- 6-[4-(N-acetyl-L-prolylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid
- IUPAC
- 6-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL11107234ABRBIJBQGQNZBI-INIZCTEOSA-N6-[4-(N-acetyl-L-prolylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid
Database identifiers
- PubChem CID
- 12918964
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
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