Basic information
- Standard SMILES
CC(NC(=O)c1nc(C#N)c2ccccc2c1O)C(=O)O- InChIKey
XFDRTANSBXAQCX-UHFFFAOYSA-N- Molecular formula
- C14H11N3O4
- Average molar mass
- 285.25 g/mol
Names & identifiers
- Preferred name
- (2S)-2-[(1-cyano-4-hydroxyisoquinolin-3-yl)formamido]propanoic acid
- IUPAC
- 2-[(1-cyano-4-hydroxyisoquinoline-3-carbonyl)amino]propanoic acid
Names & synonyms
SCHEMBL1656393(2S)-2-[(1-cyano-4-hydroxyisoquinolin-3-yl)formamido]propanoic acid
Database identifiers
- PubChem CID
- 67110271
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 472
Related reactions
1 records
Compound notes
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