| CAS Number | 1989659-47-3 |
| Catalog Number | AG01B5NE |
| Chemical Name | 3-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}cyclobutane-1-carboxylic acid |
| IUPAC Name | 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-10(7-14)8-4-9(5-8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16) |
| InChI Key | CTRHAKDBMSOFHK-UHFFFAOYSA-N |
| MDL Number | MFCD30342776 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | C(C)(C)(C)OC(=O)N1CC(C1)C1CC(C1)C(=O)O |
| Synonyms | 3-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}cyclobutane-1-carboxylic acid,
1989659-47-3,
ZINC521399004,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number