| CAS Number | 1160247-47-1 |
| Catalog Number | AG00HD82(AGN-PC-0WG4I9) |
| Chemical Name | 1'-(tert-Butoxycarbonyl)-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-6-carboxylic acid |
| IUPAC Name | 1'-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxospiro[2H-indene-3,4'-piperidine]-5-carboxylic acid |
| InChI | InChI=1S/C19H23NO5/c1-18(2,3)25-17(24)20-8-6-19(7-9-20)11-15(21)13-5-4-12(16(22)23)10-14(13)19/h4-5,10H,6-9,11H2,1-3H3,(H,22,23) |
| InChI Key | RQYNVQFRINEPMB-UHFFFAOYSA-N |
| MDL Number | MFCD12198603 |
| Molecular Formula | C19H23NO5 |
| Molecular Weight | 345.3896 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC(=O)c3ccc(cc23)C(O)=O)CC1 |
| Synonyms | 1160247-47-1,
1'-(tert-Butoxycarbonyl)-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-6-carboxylic acid,
1-(Tert-Butoxycarbonyl)-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-6-Carboxylic Acid,
MFCD12198603,
AM804819,
CS-0038950,
1'-(t-Butoxycarbonyl)-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-6-carboxylic acid,
1'-(tert-Butoxycarbonyl)-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-6-carboxylicacid,
|
| Complexity | 571 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.395g/mol |
| Monoisotopic Mass | 345.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number