3,4-Dihydroxyphenylalanine, butyl ester
Basic information
- Standard SMILES
CCCCOC(=O)[C@H](N)Cc1ccc(O)c(O)c1- InChIKey
QDMOINLDXCZCEK-SNVBAGLBSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- 3,4-Dihydroxyphenylalanine, butyl ester
- IUPAC
- butyl (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Names & synonyms
3,4-Dihydroxyphenylalanine, butyl esterButyl 3-hydroxytyrosinateDL-Dopa n-butyl esterQDMOINLDXCZCEK-SNVBAGLBSA-NDTXSID601370692
Database identifiers
- PubChem CID
- 6426985
- DTXSID
DTXSID601370692
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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