Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate
Basic information
- CAS
158567-93-2- Standard SMILES
CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)N1- InChIKey
BJOUEZQMVVKCPC-NEPJUHHUSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate
- IUPAC
- ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate
- English name
- (2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
Ethyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate(2S,5R)-Ethyl 5-phenylpyrrolidine-2-carboxylateYQF3597DTXSID301294231Ethyl (5R)-5-phenyl-L-prolinate(5R)-5-Phenyl-L-proline ethyl esterCS-0055808EN300-20767099L-Proline, 5-phenyl-, ethyl ester, (5R)-(2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid
Database identifiers
- CAS
158567-93-2- PubChem CID
- 10013698
- DTXSID
DTXSID301294231- Nikkaji
- J680.911A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 318.9 · 318.9±42.0 °C(Predicted)
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-5°C
- pka
- 7.86 · 7.86±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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