| CAS Number | 294646-46-1 |
| Catalog Number | AG01A62U |
| Chemical Name | tert-butyl (2S,3S)-2-(2-chloroacetamido)-3-methylpentanoate |
| IUPAC Name | tert-butyl 2-[(2-chloroacetyl)amino]-3-methylpentanoate |
| InChI | InChI=1S/C12H22ClNO3/c1-6-8(2)10(14-9(15)7-13)11(16)17-12(3,4)5/h8,10H,6-7H2,1-5H3,(H,14,15) |
| InChI Key | QOZKGUFVLXWMCU-UHFFFAOYSA-N |
| MDL Number | MFCD29060236 |
| Molecular Formula | C12H22ClNO3 |
| Molecular Weight | 263.761 |
| SMILES | CC[C@@H]([C@@H](C(OC(C)(C)C)=O)NC(CCl)=O)C |
| Synonyms | tert-butyl (2S,3S)-2-(2-chloroacetamido)-3-methylpentanoate,
294646-46-1,
tert-butyl 2-(2-chloroacetamido)-3-methylpentanoate,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.762g/mol |
| Monoisotopic Mass | 263.129g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number