Basic information
- CAS
154051-95-3- Standard SMILES
CCOC(=O)C(N)Cc1ccc(O)c(OC)c1- InChIKey
PGNLJJLFGHFYAV-UHFFFAOYSA-N- Molecular formula
- C12H17NO4
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.11575802
Names & identifiers
- Preferred name
- Ethyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate
- IUPAC
- ethyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate
Names & synonyms
ethyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate154051-95-3Ethyl 3-methoxytyrosinate3-Methoxytyrosine ethyl esterDTXSID001308360AKOS012259716EN300-13094722
Database identifiers
- CAS
154051-95-3- PubChem CID
- 5114492
- DTXSID
DTXSID001308360
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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