Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)O- InChIKey
TYUQYVAXNUHBAT-JLIMGVALSA-N- Molecular formula
- C13H21NO5
- Average molar mass
- 271.31 g/mol
Names & identifiers
- Preferred name
- (1S,3S,4S,5R)-2-tert-butoxycarbonyl-5-hydroxy-2-azabicyclo[2.2.2]octane-3-carboxylic acid
- IUPAC
- (1S,3S,4S,5R)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
Names & synonyms
851389-23-6(1S,3S,4S,5R)-2-tert-butoxycarbonyl-5-hydroxy-2-azabicyclo[2.2.2]octane-3-carboxylic acid(1S,3S,4S,5R)-2-(tert-Butoxycarbonyl)-5-hydroxy-2-azabicyclo[2.2.2]octane-3-carboxylic AcidMFCD12198766(1S,3S,4S,5R)-2-[(tert-butoxy)carbonyl]-5-hydroxy-2-azabicyclo[2.2.2]octane-3-carboxylic acid(1S,3S,4S,5R)-2-Boc-5-hydroxy-2-azabicyclo[2.2.2]octane-3-carboxylic Acid1272757-08-0SCHEMBL4665258TYUQYVAXNUHBAT-JLIMGVALSA-NPS-19666SY344357F89811
Show more names
F874753
Database identifiers
- PubChem CID
- 69135461
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Related reactions
1 records
Compound notes
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