(S)-Methyl 1-methylpyrrolidine-3-carboxylate
Basic information
- CAS
226088-57-9- Standard SMILES
COC(=O)[C@H]1CCN(C)C1- InChIKey
ZWWOGQHZGYEOFM-LURJTMIESA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
Names & identifiers
- Preferred name
- (S)-Methyl 1-methylpyrrolidine-3-carboxylate
- IUPAC
- methyl (3S)-1-methylpyrrolidine-3-carboxylate
- English name
- 3-Pyrrolidinecarboxylicacid,1-methyl-,methylester,(3S)-(9CI)
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
(S)-Methyl 1-methylpyrrolidine-3-carboxylate226088-57-9SCHEMBL147121063-Pyrrolidinecarboxylicacid,1-methyl-,methylester,(3S)-(9CI)
Database identifiers
- CAS
226088-57-9
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 165.558 · 165.558±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.042 · 1.042±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.175 · 9.175±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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