| CAS Number | 1202858-82-9 |
| Catalog Number | AG01BCOH |
| Chemical Name | 1-{[(tert-butoxy)carbonyl](methyl)amino}cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12(4)11(8(13)14)6-5-7-11/h5-7H2,1-4H3,(H,13,14) |
| InChI Key | QVXRQDKLDKWIMG-UHFFFAOYSA-N |
| MDL Number | MFCD19660962 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | O=C(C1(N(C(OC(C)(C)C)=O)C)CCC1)O |
| Synonyms | 1202858-82-9,
1-[Boc-(methyl)amino]cyclobutanecarboxylic acid,
1-{[(tert-butoxy)carbonyl](methyl)amino}cyclobutane-1-carboxylic acid,
SCHEMBL1770349,
QVXRQDKLDKWIMG-UHFFFAOYSA-N,
ZINC69550907,
AKOS013465176,
FT-0745779,
F2147-4265,
Z2177031193,
1-(tert-butoxycarbonyl(methyl)amino)cyclobutanecarboxylic acid,
1-((tert-butoxycarbonyl)(methyl)amino)cyclobutane-1-carboxylic acid,
1-[[(1,1-dimethylethoxy)carbonyl]methylamino]Cyclobutanecarboxylic acid,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/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