| CAS Number | 1796908-88-7 |
| Catalog Number | AG01AG6F(AGN-PC-0WO6Y6) |
| Chemical Name | 1-{[(tert-butoxy)carbonyl]amino}-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid |
| IUPAC Name | 3-ethoxy-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C14H25NO5/c1-7-19-9-8-14(10(16)17,13(9,5)6)15-11(18)20-12(2,3)4/h9H,7-8H2,1-6H3,(H,15,18)(H,16,17) |
| InChI Key | VTFQKTAQTXZWSV-UHFFFAOYSA-N |
| MDL Number | MFCD27920358 |
| Molecular Formula | C14H25NO5 |
| Molecular Weight | 287.3520 |
| SMILES | CCOC1C(C)(C)C(C(O)=O)(NC(OC(C)(C)C)=O)C1 |
| Synonyms | 1-{[(tert-butoxy)carbonyl]amino}-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid,
1796908-88-7,
AKOS026728363,
MCULE-1334316756,
NE17600,
Z1753031190,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.356g/mol |
| Monoisotopic Mass | 287.173g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number