Basic information
- CAS
46827-90-1- Standard SMILES
C=COC(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
LMKGVUJKILHRCE-JTQLQIEISA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- 3-Phenyl-N-((vinyloxy)carbonyl)-L-alanine
- IUPAC
- (2S)-2-(ethenoxycarbonylamino)-3-phenylpropanoic acid
- English name
- 3-phenyl-N-[(vinyloxy)carbonyl]-L-alanine
- Molecular formula
- C12H13NO4
- Molecular weight
- 235.23592
Names & synonyms
46827-90-1EINECS 256-282-23-Phenyl-N-((vinyloxy)carbonyl)-L-alanineN-[(Ethenyloxy)carbonyl]-L-phenylalanineDTXSID20196954LMKGVUJKILHRCE-JTQLQIEISA-NNS000316383-phenyl-N-[(vinyloxy)carbonyl]-L-alanine
Database identifiers
- CAS
46827-90-1- PubChem CID
- 6452065
- DTXSID
DTXSID20196954- EC Number
- 256-282-2
- Nikkaji
- J264.815F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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