| CAS Number | 1234176-74-9 |
| Catalog Number | AG00HH9J(AGN-PC-0WD75T) |
| Chemical Name | 3-([(tert-butoxy)carbonyl](methyl)amino)cyclobutane-1-carboxylic acid |
| IUPAC Name | 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(4)8-5-7(6-8)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14) |
| InChI Key | PHNDFCGTUWXBMI-UHFFFAOYSA-N |
| MDL Number | MFCD25121813 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | CN(C(OC(C)(C)C)=O)C1CC(C(O)=O)C1 |
| Synonyms | 1234176-74-9,
3-{[(tert-butoxy)carbonyl](methyl)amino}cyclobutane-1-carboxylic acid,
3-([(TERT-BUTOXY)CARBONYL](METHYL)AMINO)CYCLOBUTANE-1-CARBOXYLIC ACID,
3-((tert-Butoxycarbonyl)(methyl)amino)cyclobutanecarboxylic acid,
3-{[(tert-butoxy)carbonyl](methyl)amino}cyclobutane-1-carboxylicacid,
MFCD25121813,
AKOS027254150,
ZINC261508059,
SB15603,
AS-51972,
CS-0056585,
Z2689031552,
3-([(t-Butoxy)carbonyl](methyl)amino)cyclobutane-1-carboxylic acid,
|
| Complexity | 289 |
| 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 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number