(2S)-2-(2H-Indazol-3-ylformamido)-3,3-dimethylbutanoic acid
CAS: 1189552-82-6
| 1 | Adb-fubinaca metabolite M9 |
| 2 | V7B7FBC2G4 |
| 3 | N-(1H-Indazol-3-ylcarbonyl)-3-methyl-L-valine |
| 4 | L-Valine, N-(1H-indazol-3-ylcarbonyl)-3-methyl- |
| 5 | (2S)-2-(2H-Indazol-3-ylformamido)-3,3-dimethylbutanoic acid |
No description available for this item
| Molecular Formula | C14H17N3O3 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 275.3000 |
| InChIKey | CPHMGHDQBWTCMZ-LLVKDONJSA-N |
| InChI | InChI=1S/C14H17N3O3/c1-14(2,3)11(13(19)20)15-12(18)10-8-6-4-5-7-9(8)16-17-10/h4-7,11H,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t11-/m1/s1 |
| XLogP | 2.5000 |
| ExactMass | 275.1270 |
| MonoisotopicMass | 275.1270 |
| TPSA | 95.1000 |
| Complexity | 392.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 20 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 1 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |