| CAS Number | 199330-69-3 |
| Catalog Number | AG019XZH(AGN-PC-0WO9GJ) |
| Chemical Name | 1-{[(tert-butoxy)carbonyl]amino}-4-methylcyclohexane-1-carboxylic acid |
| IUPAC Name | 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C13H23NO4/c1-9-5-7-13(8-6-9,10(15)16)14-11(17)18-12(2,3)4/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16) |
| InChI Key | CYQMEEBIPOTFDY-UHFFFAOYSA-N |
| MDL Number | MFCD07434866 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.3260 |
| SMILES | CC1CCC(C(O)=O)(NC(OC(C)(C)C)=O)CC1 |
| Synonyms | 199330-69-3,
1-{[(tert-butoxy)carbonyl]amino}-4-methylcyclohexane-1-carboxylic acid,
1-([(TERT-BUTOXY)CARBONYL]AMINO)-4-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID,
CTK6B7545,
ZINC14632728,
AKOS008124730,
AB41927,
NE58661,
BS-12126,
EN300-56479,
1-[(TERT-BUTOXYCARBONYL)AMINO]-4-METHYLCYCLOHEXANECARBOXYLIC ACID,
AC1Q2QRB,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.162708g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.33g/mol |
| Monoisotopic Mass | 257.162708g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number