| CAS Number | 1483729-29-8 |
| Catalog Number | AG01EKCW |
| Chemical Name | 2-{[(Tert-butoxy)carbonyl]amino}-2-cycloheptylacetic acid |
| IUPAC Name | 2-cycloheptyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
| InChI | InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)10-8-6-4-5-7-9-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17) |
| InChI Key | ADXRJYZTIHABDG-UHFFFAOYSA-N |
| MDL Number | MFCD20863127 |
| Molecular Formula | C14H25NO4 |
| Molecular Weight | 271.3526 |
| SMILES | CC(OC(NC(C(O)=O)C1CCCCCC1)=O)(C)C |
| Synonyms | (R)-2-((tert-Butoxycarbonyl)amino)-2-cycloheptylacetic acid,
AKOS015252912,
2-{[(tert-butoxy)carbonyl]amino}-2-cycloheptylacetic acid,
(2S)-2-cycloheptyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid,
1483729-29-8,
(S)-2-((tert-Butoxycarbonyl)amino)-2-cycloheptylacetic acid,
1228542-19-5,
1860033-48-2,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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