| CAS Number | 117880-89-4 |
| Catalog Number | AG01BGAX(AGN-PC-00EORZ) |
| Chemical Name | tert-Butyl 2-acetamidoacetate |
| IUPAC Name | tert-butyl 2-acetamidoacetate |
| InChI | InChI=1S/C8H15NO3/c1-6(10)9-5-7(11)12-8(2,3)4/h5H2,1-4H3,(H,9,10) |
| InChI Key | JNMRCHHHNJFCBU-UHFFFAOYSA-N |
| MDL Number | MFCD23724438 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | CC(NCC(OC(C)(C)C)=O)=O |
| Synonyms | Tert-butyl 2-acetamidoacetate,
117880-89-4,
SCHEMBL7660758,
N-Acetylglycine tert-butyl ester,
ZINC34638677,
AKOS017412714,
glycine t-butyl ester acetate salt,
CID11715255,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.212g/mol |
| Monoisotopic Mass | 173.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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