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Basic information
- Standard SMILES
CC(C)CC(O)[C@H]1CCN(C(=O)OC(C)(C)C)C1- InChIKey
MQRNOQSTKGOKHN-PXYINDEMSA-N- Molecular formula
- C14H27NO3
- Average molar mass
- 257.37 g/mol
- Monoisotopic mass
- 257.19909372
Names & identifiers
- Preferred name
- (3S)-3-(1-hydroxy-3-methyl-butyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3S)-3-(1-hydroxy-3-methylbutyl)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL586278MQRNOQSTKGOKHN-PXYINDEMSA-N(3S)-3-(1-hydroxy-3-methyl-butyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59536655
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
2 records
Compound notes
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