(2S,3R)-Ethyl 3-methylpyrrolidine-2-carboxylate
Basic information
- CAS
186586-71-0- Standard SMILES
CCOC(=O)[C@H]1NCC[C@H]1C- InChIKey
YJXMGRSSLHPGTO-RQJHMYQMSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
Names & identifiers
- Preferred name
- (2S,3R)-Ethyl 3-methylpyrrolidine-2-carboxylate
- IUPAC
- ethyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
- English name
- (2S,3R)-cis-3-Methyl-L-proline ethyl ester
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
186586-71-0(2S,3R)-CIS-3-METHYL-L-PROLINE ETHYL ESTERethyl (2S,3R)-3-methylpyrrolidine-2-carboxylate(2S,3R)-Ethyl 3-methylpyrrolidine-2-carboxylateSCHEMBL6882050AKOS006286955H-BETA-ME-L-PRO-OETcis-3-Methyl-L-proline ethyl ester(2S,3R)-cis-3-methyl-L-Pro ethyl esterL-Proline, 3-methyl-, ethyl ester, (3R)-L-Proline, 3-methyl-, ethyl ester, (3R)- (9CI)(2S,3R)-3-Methyl-pyrrolidine-2-carboxylic acid ethyl ester
Database identifiers
- CAS
186586-71-0
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
- 8.26 · 8.26±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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