| CAS Number | 170462-69-8 |
| Catalog Number | AG01EKCN |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-4-methyl-2-(trifluoromethyl)pentanoic acid |
| IUPAC Name | 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pentanoic acid |
| InChI | InChI=1S/C12H20F3NO4/c1-7(2)6-11(8(17)18,12(13,14)15)16-9(19)20-10(3,4)5/h7H,6H2,1-5H3,(H,16,19)(H,17,18) |
| InChI Key | MUJOGMJYEGHPQF-UHFFFAOYSA-N |
| MDL Number | MFCD24473304 |
| Molecular Formula | C12H20F3NO4 |
| Molecular Weight | 299.2867 |
| SMILES | CC(CC(C(F)(F)F)(C(O)=O)NC(OC(C)(C)C)=O)C |
| Synonyms | AKOS026739899,
2-{[(tert-butoxy)carbonyl]amino}-4-methyl-2-(trifluoromethyl)pentanoic acid,
170462-69-8,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.29g/mol |
| Monoisotopic Mass | 299.134g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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