| CAS Number | 349-00-8 |
| Catalog Number | AG01ABXV(AGN-PC-0WOAX0) |
| Chemical Name | (2S)-3-Methyl-2-(trifluoroacetamido)butanoic acid |
| IUPAC Name | (2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid |
| InChI | InChI=1S/C7H10F3NO3/c1-3(2)4(5(12)13)11-6(14)7(8,9)10/h3-4H,1-2H3,(H,11,14)(H,12,13)/t4-/m0/s1 |
| InChI Key | XZNJCFYYNFONPC-BYPYZUCNSA-N |
| MDL Number | MFCD00137760 |
| Molecular Formula | C7H10F3NO3 |
| Molecular Weight | 213.1544 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C(F)(F)F |
| Synonyms | (2S)-3-methyl-2-(trifluoroacetamido)butanoic acid,
349-00-8,
N-trifluoroacetylvaline,
Trifluoracetyl-L-valin,
AC1MBQYQ,
n-(trifluoroacetyl)valine,
N-trifluoroacetyl-L-valine,
SCHEMBL6443429,
XZNJCFYYNFONPC-BYPYZUCNSA-N,
ZINC1732851,
AKOS004909697,
NE33280,
(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid,
NSC192717,
CID2755241,
3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.156g/mol |
| Monoisotopic Mass | 213.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number