Basic information
- Standard SMILES
CCOC(=O)C(C(C)CC)C(C)(O)c1cccnc1- InChIKey
YWTXIMQZTIVBIW-UHFFFAOYSA-N- Molecular formula
- C15H23NO3
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.1677936
Names & identifiers
- Preferred name
- Ethyl 2-(2-Butyl)-3-hydroxy-3-methyl-3-(3-pyridyl)propionate
- IUPAC
- ethyl 2-(1-hydroxy-1-pyridin-3-ylethyl)-3-methylpentanoate
Names & synonyms
SCHEMBL9466966YWTXIMQZTIVBIW-UHFFFAOYSA-NEthyl 2-(2-Butyl)-3-hydroxy-3-methyl-3-(3-pyridyl)propionate
Database identifiers
- PubChem CID
- 54531343
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Related reactions
4 records
Compound notes
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