| CAS Number | 1700442-25-6 |
| Catalog Number | AG00IL58(AGN-PC-0WG3J7) |
| Chemical Name | 1-((tert-Butoxycarbonyl)amino)-3-methoxycyclobutane-1-carboxylic acid |
| IUPAC Name | 3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-11(8(13)14)5-7(6-11)16-4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14) |
| InChI Key | DUZSBLQOTMZVAN-UHFFFAOYSA-N |
| MDL Number | MFCD30803300 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | C(C)(C)(C)OC(=O)NC1(CC(C1)OC)C(=O)O |
| Synonyms | 1700442-25-6,
1-{[(tert-butoxy)carbonyl]amino}-3-methoxycyclobutane-1-carboxylic acid,
1-((tert-Butoxycarbonyl)amino)-3-methoxycyclobutane-1-carboxylic acid,
(1r,3r)-1-((tert-Butoxycarbonyl)amino)-3-methoxycyclobutane-1-carboxylic acid,
(1s,3s)-1-((tert-Butoxycarbonyl)amino)-3-methoxycyclobutane-1-carboxylic acid,
2166665-57-0,
2166823-89-6,
MFCD30803300,
AS-53994,
CS-0052666,
1-{[(t-Butoxy)carbonyl]amino-3-methoxycyclobutane-1-carboxylic acid,
1-{[(tert-butoxy)carbonyl]amino-3-methoxycyclobutane-1-carboxylic acid,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number