Basic information
- CAS
78843-74-0- Standard SMILES
CCOC(=O)C(N)(CO)Cc1ccccc1- InChIKey
NXXAORUDAHKZIP-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- Ethyl alpha-(hydroxymethyl)phenylalaninate
- IUPAC
- ethyl 2-amino-2-benzyl-3-hydroxypropanoate
Names & synonyms
78843-74-0NSC353088Ethyl alpha-(hydroxymethyl)phenylalaninateDTXSID30319970NSC-353088
Database identifiers
- CAS
78843-74-0- PubChem CID
- 336906
- DTXSID
DTXSID30319970
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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