| CAS Number | 1160247-56-2 |
| Catalog Number | AG00HD8A(AGN-PC-0WG4IG) |
| Chemical Name | 2-(1'-(tert-Butoxycarbonyl)-5,6-dimethoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid |
| IUPAC Name | 2-[5,6-dimethoxy-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid |
| InChI | InChI=1S/C22H31NO6/c1-21(2,3)29-20(26)23-8-6-22(7-9-23)13-14(10-19(24)25)15-11-17(27-4)18(28-5)12-16(15)22/h11-12,14H,6-10,13H2,1-5H3,(H,24,25) |
| InChI Key | FXVKNSONWCCSIG-UHFFFAOYSA-N |
| MDL Number | MFCD12198612 |
| Molecular Formula | C22H31NO6 |
| Molecular Weight | 405.4846 |
| SMILES | COc1cc2c(cc1OC)C(CC12CCN(CC1)C(=O)OC(C)(C)C)CC(=O)O |
| Synonyms | 1160247-56-2,
2-(1'-(tert-Butoxycarbonyl)-5,6-dimethoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid,
2-(1-(Tert-Butoxycarbonyl)-5,6-Dimethoxy-2,3-Dihydrospiro[Indene-1,4-Piperidine]-3-Yl)Acetic Acid,
AM804687,
CS-0037599,
2-(1'-(tert-Butoxycarbonyl)-5,6-dimethoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)aceticacid,
2-[5,6-dimethoxy-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid,
|
| Complexity | 607 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.491g/mol |
| Monoisotopic Mass | 405.215g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 85.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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