Basic information
- CAS
106230-19-7- Standard SMILES
COC(=O)[C@@H]1CC(C)(C)CN1- InChIKey
PAZXLLAOBQGLGF-LURJTMIESA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
Names & identifiers
- Preferred name
- (S)-Methyl 4,4-dimethylpyrrolidine-2-carboxylate
- IUPAC
- methyl (2S)-4,4-dimethylpyrrolidine-2-carboxylate
- English name
- Proline, 4,4-dimethyl-, methyl ester (9CI)
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
(S)-Methyl 4,4-dimethylpyrrolidine-2-carboxylate1262484-36-5methyl (2S)-4,4-dimethylpyrrolidine-2-carboxylateSCHEMBL2905487PAZXLLAOBQGLGF-LURJTMIESA-N4,4-Dimethyl Proline Methyl EsterDB-115665F12601(S)-Methyl4,4-dimethylpyrrolidine-2-carboxylateEN300-6747950Methyl (S)-4,4-dimethylpyrrolidine-2-carboxylate4,4-diMethyl-Proline Methyl ester
Show more names
Proline, 4,4-dimethyl-, methyl esterProline, 4,4-dimethyl-, methyl ester (9CI)methyl 4,4-dimethylpyrrolidine-2-carboxylate
Database identifiers
- CAS
106230-19-7
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 190.1 · 190.1±33.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- pka
- 8.3 · 8.30±0.10(Predicted)
Chemistry & industry
Suppliers2 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海松帆医药科技有限公司17321241880 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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