| CAS Number | 1909295-01-7 |
| Catalog Number | AG01A62T |
| Chemical Name | tert-butyl (2S)-2-(2-chloroacetamido)-3-methylbutanoate |
| IUPAC Name | tert-butyl (2S)-2-[(2-chloroacetyl)amino]-3-methylbutanoate |
| InChI | InChI=1S/C11H20ClNO3/c1-7(2)9(13-8(14)6-12)10(15)16-11(3,4)5/h7,9H,6H2,1-5H3,(H,13,14)/t9-/m0/s1 |
| InChI Key | LOFMXZVMZREBOY-VIFPVBQESA-N |
| MDL Number | MFCD29060235 |
| Molecular Formula | C11H20ClNO3 |
| Molecular Weight | 249.7344 |
| SMILES | CC([C@@H](C(OC(C)(C)C)=O)NC(CCl)=O)C |
| Synonyms | 1909295-01-7,
ZINC299805385,
tert-butyl (2S)-2-(2-chloroacetamido)-3-methylbutanoate,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.735g/mol |
| Monoisotopic Mass | 249.113g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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