(2S,5S)-Ethyl 5-methylpyrrolidine-2-carboxylate
Basic information
- CAS
28168-91-4- Standard SMILES
CCOC(=O)[C@@H]1CC[C@H](C)N1- InChIKey
SIHWTRLYXYEMIA-BQBZGAKWSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- (2S,5S)-Ethyl 5-methylpyrrolidine-2-carboxylate
- IUPAC
- ethyl (2S,5S)-5-methylpyrrolidine-2-carboxylate
- English name
- Proline, 5-methyl-, ethyl ester, cis- (8CI)
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
676560-84-2(2S,5S)-Ethyl 5-methylpyrrolidine-2-carboxylateEthyl (2S,5S)-5-Methylpyrrolidine-2-carboxylate28168-91-4L-Proline, 5-methyl-, ethyl ester, (5S)- (9CI)MFCD13175057Ethyl cis-5-methylpyrrolidine-2-carboxylateethyl (5S)-5-methyl-L-prolinaterac-ethyl (2R,5R)-5-methylpyrrolidine-2-carboxylateVelpatasvir Impurity 13SCHEMBL647548DTXSID80435573
Show more names
Proline, 5-methyl-, ethyl ester, cis- (8CI)
ethyl(5S)-5-methyl-L-prolinateTQP0859SIHWTRLYXYEMIA-BQBZGAKWSA-NAKOS015900904AC-29975CS-0454861Y10153EN300-6510777
Database identifiers
- CAS
28168-91-4、676560-84-2- PubChem CID
- 10103395
- DTXSID
DTXSID80435573- Nikkaji
- J680.915D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 203.7 · 203.7±33.0 °C(Predicted)
- Density
- 0.989 · 0.989±0.06 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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