(2S,4S)-4-hydroxymethyl-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@H](CO)CN1C(=O)OC(C)(C)C- InChIKey
PJDYQKZRLWYKCC-QWRGUYRKSA-N- Molecular formula
- C15H27NO5
- Average molar mass
- 301.38 g/mol
- Monoisotopic mass
- 301.18892296
Names & identifiers
- Preferred name
- (2S,4S)-4-hydroxymethyl-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester
- IUPAC
- ditert-butyl (2S,4S)-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
Names & synonyms
SCHEMBL3191025PJDYQKZRLWYKCC-QWRGUYRKSA-N(4S)-1-(tert-butyloxycarbonyl)-4-hydroxymethyl-L-proline tert-butyl ester(2S,4S)-4-hydroxymethyl-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester(2S,4S)-N-tert-butoxycarbonyl-2-tert-butoxycarbonyl-4-hydroxymethylpyrrolidine(4S)-1-(tert-Butyloxycarbonyl)-4-(Hydroxymethyl)-L-Proline tert-Butyl Ester
Database identifiers
- PubChem CID
- 59166759
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
3 records
Compound notes
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