Basic information
- Standard SMILES
CCOC(=O)C(C(=O)c1ccncc1)C(=O)C1CC1- InChIKey
WNBUCTGWSMXTBA-UHFFFAOYSA-N- Molecular formula
- C14H15NO4
- Average molar mass
- 261.27 g/mol
Names & identifiers
- Preferred name
- 3-Cyclopropyl-3-oxo-2-(pyridine-4-carbonyl)-propionic acid ethyl ester
- IUPAC
- ethyl 2-(cyclopropanecarbonyl)-3-oxo-3-pyridin-4-ylpropanoate
Names & synonyms
SCHEMBL2197500WNBUCTGWSMXTBA-UHFFFAOYSA-N3-Cyclopropyl-3-oxo-2-(pyridine-4-carbonyl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 67313757
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
4 records
Compound notes
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