Phenethyl 2-amino-3-(4-methoxyphenyl)propanoate
Basic information
- CAS
6330-22-9- Standard SMILES
COc1ccc(CC(N)C(=O)OCCc2ccccc2)cc1- InChIKey
LQAKRDXSVHMAMG-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Names & identifiers
- Preferred name
- Phenethyl 2-amino-3-(4-methoxyphenyl)propanoate
- IUPAC
- 2-phenylethyl 2-amino-3-(4-methoxyphenyl)propanoate
Names & synonyms
6330-22-9phenethyl 2-amino-3-(4-methoxyphenyl)propanoate2-Phenylethyl O-methyltyrosinateDTXSID90328705
Database identifiers
- CAS
6330-22-9- PubChem CID
- 413345
- DTXSID
DTXSID90328705
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
- 22
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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