| CAS Number | 222727-35-7 |
| Catalog Number | AG01BXWW |
| Chemical Name | methyl (1s,3s)-1-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate |
| IUPAC Name | methyl 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate |
| InChI | InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-11(8(14)16-4)5-7(13)6-11/h7,13H,5-6H2,1-4H3,(H,12,15) |
| InChI Key | COSQCBGGUXHPQO-UHFFFAOYSA-N |
| MDL Number | MFCD30488063 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | COC([C@]1(NC(OC(C)(C)C)=O)C[C@@H](O)C1)=O |
| Synonyms | methyl 1-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate,
191110-53-9,
Methyl 1-((tert-butoxycarbonyl)amino)-3-hydroxycyclobutanecarboxylate,
222727-35-7,
SCHEMBL5229523,
SCHEMBL14416213,
SCHEMBL14416220,
ZINC39187834,
AKOS023838683,
ZINC307666077,
SB22356,
CS-0057002,
Z2692093603,
Methyl (1s,3s)-1-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate,
CID10705519,
Methyl 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate,
|
| 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 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number