Basic information
- Standard SMILES
COc1ccc([C@@H](N)CC(=O)OC(C)(C)C)c(OC)c1- InChIKey
BDEZTCBBICTQAK-LBPRGKRZSA-N- Molecular formula
- C15H23NO4
- Average molar mass
- 281.35 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (s)-3-amino-3-(2,4-dimethoxyphenyl)propionate
- IUPAC
- tert-butyl (3S)-3-amino-3-(2,4-dimethoxyphenyl)propanoate
Names & synonyms
SCHEMBL4392054BDEZTCBBICTQAK-LBPRGKRZSA-Ntert-butyl (s)-3-amino-3-(2,4-dimethoxyphenyl)propionate
Database identifiers
- PubChem CID
- 53676007
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Related reactions
2 records
Compound notes
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