Basic information
- Standard SMILES
CCCCOc1ccc(C[C@H](N)C(=O)OC)cc1- InChIKey
VZQFGTOCQYFIFY-ZDUSSCGKSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- methyl (S)-2-amino-3-(4-butoxy-phenyl)-propionate
- IUPAC
- methyl (2S)-2-amino-3-(4-butoxyphenyl)propanoate
Names & synonyms
SCHEMBL10084808VZQFGTOCQYFIFY-ZDUSSCGKSA-Nmethyl (S)-2-amino-3-(4-butoxy-phenyl)-propionate
Database identifiers
- PubChem CID
- 68030835
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
6 records
Compound notes
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