Methyl 5-methylpyrrolidine-2-carboxylate
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Basic information
- CAS
195311-23-0- Standard SMILES
COC(=O)C1CCC(C)N1- InChIKey
FZBQCOBVXDOWIT-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
Names & identifiers
- Preferred name
- Methyl 5-methylpyrrolidine-2-carboxylate
- IUPAC
- methyl 5-methylpyrrolidine-2-carboxylate
- English name
- Proline, 5-methyl-, methyl ester (9CI)
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
Methyl 5-methylpyrrolidine-2-carboxylateSCHEMBL475693Proline, 5-methyl-, methyl esterProline, 5-methyl-, methyl ester (9CI)5-Methyl-pyrrolidine-2-carboxylic acid methyl ester
Database identifiers
- CAS
195311-23-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 182.5 · 182.5±33.0 °C(Predicted)
- Density
- 1.005 · 1.005±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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