| CAS Number | 2177266-27-0 |
| Catalog Number | AG01FLEU(AGN-PC-3H4B4L) |
| Chemical Name | 1-(tert-butoxycarbonyl)-4-((5-fluoropyridin-2-yl)amino)piperidine-4-carboxylic acid |
| IUPAC Name | 4-[(5-fluoropyridin-2-yl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C16H22FN3O4/c1-15(2,3)24-14(23)20-8-6-16(7-9-20,13(21)22)19-12-5-4-11(17)10-18-12/h4-5,10H,6-9H2,1-3H3,(H,18,19)(H,21,22) |
| InChI Key | INHBVYSUQFQLBL-UHFFFAOYSA-N |
| MDL Number | MFCD31731604 |
| Molecular Formula | C16H22FN3O4 |
| Molecular Weight | 339.3620 |
| SMILES | Fc1ccc(nc1)NC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O |
| Synonyms | 1-(tert-Butoxycarbonyl)-4-((5-fluoropyridin-2-yl)amino)piperidine-4-carboxylic acid,
CS-0080299,
2177266-27-0,
|
| Complexity | 472 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.159434g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.36g/mol |
| Monoisotopic Mass | 339.159434g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number