(4S,5S)-1-(tert-Butyloxycarbonyl)-4-hydroxy-5-isopropylpyrrolidine-2-one
Basic information
- CAS
112711-95-2- Standard SMILES
CC(C)[C@H]1[C@@H](O)CC(=O)N1C(=O)OC(C)(C)C- InChIKey
CTIQWEXQRFSHLG-WPRPVWTQSA-N- Molecular formula
- C12H21NO4
- Average molar mass
- 243.3 g/mol
Names & identifiers
- Preferred name
- (4S,5S)-1-(tert-Butyloxycarbonyl)-4-hydroxy-5-isopropylpyrrolidine-2-one
- IUPAC
- tert-butyl (2S,3S)-3-hydroxy-5-oxo-2-propan-2-ylpyrrolidine-1-carboxylate
- English name
- (2S,3S)-tert-butyl 3-hydroxy-2-isopropyl-5-oxopyrrolidine-1-carboxylate(WXC08381)
- Molecular formula
- C12H21NO4
- Molecular weight
- 243.3
Names & synonyms
112711-95-2tert-butyl (2S,3S)-3-hydroxy-5-oxo-2-(propan-2-yl)pyrrolidine-1-carboxylate(4S,5S)-1-(tert-Butyloxycarbonyl)-4-hydroxy-5-isopropylpyrrolidine-2-onetert-butyl (2S,3S)-3-hydroxy-5-oxo-2-propan-2-ylpyrrolidine-1-carboxylate(2S,3S)-tert-butyl 3-hydroxy-2-isopropyl-5-oxopyrrolidine-1-carboxylate(2S,3S)-tert-butyl 3-hydroxy-2-isopropyl-5-oxopyrrolidine-1-carboxylate(WXC08381)1-Pyrrolidinecarboxylic acid, 3-hydroxy-2-(1-methylethyl)-5-oxo-, 1,1-dimethylethyl ester, (2S,3S)-
Database identifiers
- CAS
112711-95-2- Nikkaji
- J562.096A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 381.1 · 381.1±35.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 13.45 · 13.45±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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