| CAS Number | 1253791-63-7 |
| Catalog Number | AG000NKL(AGN-PC-0WHEKC) |
| Chemical Name | Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, ethyl ester |
| IUPAC Name | ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclohexane-1-carboxylate |
| InChI | InChI=1S/C14H23NO5/c1-5-19-11(17)14(8-6-10(16)7-9-14)15-12(18)20-13(2,3)4/h5-9H2,1-4H3,(H,15,18) |
| InChI Key | GASNSLPKHBHJJV-UHFFFAOYSA-N |
| MDL Number | MFCD11975847 |
| Molecular Formula | C14H23NO5 |
| Molecular Weight | 285.3361 |
| SMILES | O=C(C1(NC(OC(C)(C)C)=O)CCC(CC1)=O)OCC |
| Synonyms | ETHYL 1-(TERT-BUTOXYCARBONYLAMINO)-4-OXOCYCLOHEXANECARBOXYLATE,
1253791-63-7,
Ethyl 1-((tert-butoxycarbonyl)amino)-4-oxocyclohexanecarboxylate,
SCHEMBL19706901,
CTK6F4532,
MFCD11975847,
ZINC49582041,
AKOS015838195,
DA-17532,
SC-14634,
TR-071571,
FT-0716979,
Ethyl 1-(Boc-amino)-4-oxo-cyclohexanecarboxylate,
ethyl 1-(tert-butoxycarbonylamino)-4-oxocyclohexan,
ethyl 1-[(tert-butoxycarbonyl)amino]-4-oxocyclohexane-1-carboxylate,
Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, ethyl ester,
GASNSLPKHBHJJV-UHFFFAOYSA-N,
CB11592,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.34g/mol |
| Monoisotopic Mass | 285.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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