(S)-3-isobutyroxymethyl-1-piperidinecarboxylic acid trifluoroacetic acid salt
Basic information
- Standard SMILES
CC(C)C(=O)OC[C@H]1CCCN(C(=O)O)C1.O=C(O)C(F)(F)F- InChIKey
WHOJDBDYXDPYRL-FVGYRXGTSA-N- Molecular formula
- C13H20F3NO6
- Average molar mass
- 343.3 g/mol
Names & identifiers
- Preferred name
- (S)-3-isobutyroxymethyl-1-piperidinecarboxylic acid trifluoroacetic acid salt
- IUPAC
- (3S)-3-(2-methylpropanoyloxymethyl)piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
Names & synonyms
(S)-3-isobutyroxymethyl-1-piperidinecarboxylic acid trifluoroacetic acid saltSCHEMBL8918909(S)-3-iso- butyroxymethyl-1-piperidinecarboxylic acid trifluoroacetic acid salt(S)-3-iso-butyroxymethyl-1-piperidinecarboxylic acid trifluoroacetic acid salt
Database identifiers
- PubChem CID
- 67725751
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 348
Related reactions
6 records
Compound notes
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