| CAS Number | 750649-42-4 |
| Catalog Number | AG01DTJ0(AGN-PC-0OHKUZ) |
| Chemical Name | (1R,3R)-3-{[(benzyloxy)carbonyl]amino}cyclohexyl acetate |
| IUPAC Name | [(1R,3R)-3-(phenylmethoxycarbonylamino)cyclohexyl] acetate |
| InChI | InChI=1S/C16H21NO4/c1-12(18)21-15-9-5-8-14(10-15)17-16(19)20-11-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,17,19)/t14-,15-/m1/s1 |
| InChI Key | HONUIJYJMHZWAO-HUUCEWRRSA-N |
| MDL Number | MFCD30472098 |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.3422 |
| SMILES | CC(=O)O[C@@H]1CCC[C@H](C1)NC(=O)OCc1ccccc1 |
| Synonyms | 750649-42-4,
(1R,3R)-3-(((Benzyloxy)carbonyl)amino)cyclohexyl acetate,
MFCD30472098,
ZINC36375793,
AKOS030628368,
Acetic acid (1R,3R)-3-[(benzyloxycarbonyl)amino]cyclohexyl ester,
Carbamic acid, [(1R,3R)-3-(acetyloxy)cyclohexyl]-, phenylmethyl ester,
CID11737869,
[(1R,3R)-3-phenylmethoxycarbonylaminocyclohexyl] Acetate,
acetic acid (1R,3R)-3-(benzyloxycarbonylamino)cyclohexyl ester,
N/A,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.347g/mol |
| Monoisotopic Mass | 291.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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