| CAS Number | 1373502-96-5 |
| Catalog Number | AG019G82(AGN-PC-0WA4VQ) |
| Chemical Name | 2-(1-(tert-BUTOXYCARBONYL)-3-FLUOROPIPERIDIN-4-YL)ACETIC ACID |
| IUPAC Name | 2-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid |
| InChI | InChI=1S/C12H20FNO4/c1-12(2,3)18-11(17)14-5-4-8(6-10(15)16)9(13)7-14/h8-9H,4-7H2,1-3H3,(H,15,16) |
| InChI Key | QPBYZDLGSYTGHU-UHFFFAOYSA-N |
| MDL Number | MFCD22199382 |
| Molecular Formula | C12H20FNO4 |
| Molecular Weight | 261.2899 |
| SMILES | CC(OC(N1CC(F)C(CC(O)=O)CC1)=O)(C)C |
| Synonyms | 1373502-96-5,
2-(1-(tert-Butoxycarbonyl)-3-fluoropiperidin-4-yl)acetic acid,
2-(1-(TERTBUTOXYCARBONYL)-3-FLUOROPIPERIDIN-4-YL)ACETIC ACID,
MFCD22199382,
AKOS024241518,
CS-W001428,
PC430182,
Z2588063758,
2-(1-(t-Butoxycarbonyl)-3-fluoropiperidin-4-yl)acetic acid,
2-(1-(Tertbutoxycarbonyl)-3-fluoropiperidin-4-yl)aceticacid-T7121,
2-{1-[(tert-butoxy)carbonyl]-3-fluoropiperidin-4-yl}acetic acid,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.293g/mol |
| Monoisotopic Mass | 261.138g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number