Basic information
- Standard SMILES
COc1cc(N[C@@H](C)C(=O)O)cc(OC)c1- InChIKey
UJYOFKRYXUPXBK-ZETCQYMHSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
Names & identifiers
- Preferred name
- N-(3,5-dimethoxyphenyl)alanine
- IUPAC
- (2S)-2-(3,5-dimethoxyanilino)propanoic acid
Names & synonyms
SCHEMBL4421101N-(3,5-dimethoxyphenyl)alanineUJYOFKRYXUPXBK-ZETCQYMHSA-N
Database identifiers
- PubChem CID
- 54357232
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Related reactions
14 records
Compound notes
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