| CAS Number | 1262406-79-0 |
| Catalog Number | AG00HRFB(AGN-PC-0WG4CQ) |
| Chemical Name | 4-((tert-Butoxycarbonyl)amino)-1-methylcyclohexanecarboxylic acid |
| IUPAC Name | 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-9-5-7-13(4,8-6-9)10(15)16/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16) |
| InChI Key | YJMYVPLIZYHKTD-UHFFFAOYSA-N |
| MDL Number | MFCD18374849 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.3260 |
| SMILES | C(C)(C)(C)OC(=O)NC1CCC(CC1)(C(=O)O)C |
| Synonyms | 4-((tert-Butoxycarbonyl)amino)-1-methylcyclohexanecarboxylic acid,
1262406-79-0,
SCHEMBL6418270,
MFCD18374849,
ZINC165692621,
AS-55049,
CS-0036321,
4-((t-Butoxycarbonyl)amino)-1-methylcyclohexanecarboxylic acid,
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.163g/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 | 257.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number