Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(O)(C(Cc2ccc(F)cc2)C(=O)O)CC1- InChIKey
NCSZCBKQEFNUDQ-UHFFFAOYSA-N- Molecular formula
- C19H26FNO5
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.17950109
Names & identifiers
- Preferred name
- 4-[1-Carboxy-2-(4-fluoro-phenyl)-ethyl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- 3-(4-fluorophenyl)-2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
Names & synonyms
SCHEMBL2768600NCSZCBKQEFNUDQ-UHFFFAOYSA-N4-[1-Carboxy-2-(4-fluoro-phenyl)-ethyl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester4-[1-Carboxy-2-(4-fluoro-phenyl)-ethyl]-4-hydroxypiperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57458011
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 503
Related reactions
7 records
Linked notes
Loading…