1-(tert-Butyl) 2-methyl (2R,4S)-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
Basic information
- CAS
1638743-95-9- Standard SMILES
COC(=O)[C@H]1C[C@H](CO)CN1C(=O)OC(C)(C)C- InChIKey
CABWKOSZCAHYJE-DTWKUNHWSA-N- Molecular formula
- C12H21NO5
- Average molar mass
- 259.3 g/mol
Names & identifiers
- Preferred name
- 1-(tert-Butyl) 2-methyl (2R,4S)-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl (2R,4S)-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
- English name
- 1,2-Pyrrolidinedicarboxylic acid, 4-(hydroxymethyl)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)-
- Molecular formula
- C12H21NO5
- Molecular weight
- 259.3
Names & synonyms
1638743-95-91-(tert-Butyl) 2-methyl (2R,4S)-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate1-tert-butyl 2-methyl (2R,4S)-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylateMFCD28501348Methyl (2R,4S)-1-Boc-4-(hydroxymethyl)pyrrolidine-2-carboxylateAT21234SY409390CS-0184902F6257911-tert-butyl2-methyl(2R,4S)-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate1-tert-Butyl 2-methyl (2R,4S)1-(1,1-Dimethylethyl) 2-methyl (2R,4S)-4-(hydroxymethyl)-1,2-pyrrolidinedicarboxylate
Show more names
1,2-Pyrrolidinedicarboxylic acid, 4-(hydroxymethyl)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)-
Database identifiers
- CAS
1638743-95-9
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 349.6 · 349.6±27.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 14.93 · 14.93±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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