| CAS Number | 1013980-15-8 |
| Catalog Number | AG0093J5(AGN-PC-0WB2V0) |
| Chemical Name | cis-2-tert-Butoxycarbonylamino-cyclooctanecarboxylic acid |
| IUPAC Name | (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-1-carboxylic acid |
| InChI | InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11-9-7-5-4-6-8-10(11)12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t10-,11+/m0/s1 |
| InChI Key | XCJDZYKLPCSUNZ-WDEREUQCSA-N |
| MDL Number | MFCD09475429 |
| Molecular Formula | C14H25NO4 |
| Molecular Weight | 271.3526 |
| SMILES | CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)O |
| Synonyms | 1013980-15-8,
N-Boc-(+/-)cis-2-aminocyclooctane-carboxylic acid,
KS-00002BOA,
MFCD09475429,
ZINC41701907,
AKOS030253708,
TS-7120,
OR307658,
N-Boc-(+/-)cis-2-aminocyclo-octanecarboxylic acid,
(1S,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclooctane-1-carboxylic acid,
(1S,2R/1R,2S)-2-[(tert-butoxycarbonyl)amino]cyclooctanecarboxylic acid,
cis-2-Tert-butoxycarbonylamino-cyclooctanecarboxylic acid,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.357g/mol |
| Monoisotopic Mass | 271.178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number