Basic information
- Standard SMILES
CCOC(=O)C(CC(=O)c1ccccn1)C(=O)CC- InChIKey
IZSVHPBBHLSEQH-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
Names & identifiers
- Preferred name
- 3-Oxo-2-(2-oxo-2-pyridin-2-yl-ethyl)-pentanoic Acid Ethyl Ester
- IUPAC
- ethyl 3-oxo-2-(2-oxo-2-pyridin-2-ylethyl)pentanoate
Names & synonyms
SCHEMBL2070767IZSVHPBBHLSEQH-UHFFFAOYSA-N3-Oxo-2-(2-oxo-2-pyridin-2-yl-ethyl)-pentanoic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 67267404
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
4 records
Compound notes
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