| CAS Number | 1160247-51-7 |
| Catalog Number | AG00HD86(AGN-PC-0WG4IA) |
| Chemical Name | 2-(1'-(tert-Butoxycarbonyl)-7-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid |
| IUPAC Name | 2-[4-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid |
| InChI | InChI=1S/C21H29NO4/c1-14-6-5-7-16-15(12-17(23)24)13-21(18(14)16)8-10-22(11-9-21)19(25)26-20(2,3)4/h5-7,15H,8-13H2,1-4H3,(H,23,24) |
| InChI Key | DJBYYBPDMALLJK-UHFFFAOYSA-N |
| MDL Number | MFCD12198607 |
| Molecular Formula | C21H29NO4 |
| Molecular Weight | 359.4593 |
| SMILES | OC(=O)CC1CC2(c3c1cccc3C)CCN(CC2)C(=O)OC(C)(C)C |
| Synonyms | 1160247-51-7,
2-(1'-(tert-Butoxycarbonyl)-7-methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetic acid,
2-(1-(Tert-Butoxycarbonyl)-7-Methyl-2,3-Dihydrospiro[Indene-1,4-Piperidine]-3-Yl)Acetic Acid,
AM804785,
CS-0035642,
2-(1'-(tert-Butoxycarbonyl)-7-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)aceticacid,
2-[4-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid,
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.466g/mol |
| Monoisotopic Mass | 359.21g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number