| CAS Number | 1310680-29-5 |
| Catalog Number | AG009Z5X(AGN-PC-0WR0TG) |
| Chemical Name | (R)-Boc-3-amino-4,4,4-trifluoro-butyric acid |
| IUPAC Name | (3R)-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C9H14F3NO4/c1-8(2,3)17-7(16)13-5(4-6(14)15)9(10,11)12/h5H,4H2,1-3H3,(H,13,16)(H,14,15)/t5-/m1/s1 |
| InChI Key | DIEZKLWJBOJOBE-RXMQYKEDSA-N |
| MDL Number | MFCD18762150 |
| Molecular Formula | C9H14F3NO4 |
| Molecular Weight | 257.2070 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC(O)=O)C(F)(F)F |
| Synonyms | (R)-Boc-3-amino-4,4,4-trifluoro-butyric acid,
1310680-29-5,
MFCD18762150,
ZINC38342483,
AKOS027384478,
FCH3585878,
AS-43593,
PC450008,
A-8037,
(R)-3-((t-Butoxycarbonyl)amino)-4,4,4-trifluorobutanoic acid,
(R)-Boc-3-amino-4,4,4-trifluorobutyric acid,
(R)-3-((tert-Butoxycarbonyl)amino)-4,4,4-trifluorobutanoic acid,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.209g/mol |
| Monoisotopic Mass | 257.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number