| CAS Number | 886503-06-6 |
| Catalog Number | AG01EYFD(AGN-PC-3H48IC) |
| Chemical Name | 3-((Tert-butoxycarbonyl)amino)-4-cyclohexylbutanoic acid |
| IUPAC Name | 4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18) |
| InChI Key | FIBAFRJLUXGPPW-UHFFFAOYSA-N |
| MDL Number | MFCD06740408 |
| Molecular Formula | C15H27NO4 |
| Molecular Weight | 285.3792 |
| SMILES | CC(C)(OC(NC(CC(O)=O)CC1CCCCC1)=O)C |
| Synonyms | 3-tert-Butoxycarbonylamino-4-cyclohexylbutyric acid,
886503-06-6,
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexylbutanoic acid,
704916-75-6,
SCHEMBL3782843,
CTK7J1895,
AKOS015996313,
3-TERT-BUTOXYCARBONYLAMINO-4-CYCLOHEXYL-BUTYRIC ACID,
3-TERT-BUTOXYCARBONYLAMINO-4-CYCLOHEXYLBUTYRICACID,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.384g/mol |
| Monoisotopic Mass | 285.194g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number