Metabolite M1 iptacopan
- Name
- M1 iptacopan
- Description
- Not Available
- Structure
Structure for M1 iptacopan
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 249.31
Monoisotopic: 249.136493476 - Chemical Formula
- C14H19NO3
- InChI Key
- BLZIMJMLRRAXJU-STQMWFEESA-N
- InChI
- InChI=1S/C14H19NO3/c1-2-18-12-7-8-15-13(9-12)10-3-5-11(6-4-10)14(16)17/h3-6,12-13,15H,2,7-9H2,1H3,(H,16,17)/t12-,13-/m0/s1
- IUPAC Name
- 4-[(2S,4S)-4-ethoxypiperidin-2-yl]benzoic acid
- SMILES
- CCO[C@H]1CCN[C@@H](C1)C1=CC=C(C=C1)C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP -0.91 Chemaxon pKa (Strongest Acidic) 3.79 Chemaxon pKa (Strongest Basic) 9.15 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.56 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 69.46 m3·mol-1 Chemaxon Polarizability 27.74 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon