| CAS Number | 1160248-37-2 |
| Catalog Number | AG00HD92(AGN-PC-0WG4V5) |
| Chemical Name | Benzyl 3-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)indoline-1-carboxylate |
| IUPAC Name | benzyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2,3-dihydroindole-1-carboxylate |
| InChI | InChI=1S/C25H30N2O4/c1-25(2,3)31-23(28)26-14-13-19(15-26)21-16-27(22-12-8-7-11-20(21)22)24(29)30-17-18-9-5-4-6-10-18/h4-12,19,21H,13-17H2,1-3H3 |
| InChI Key | IOSWBGQPCIQBBW-UHFFFAOYSA-N |
| MDL Number | MFCD12198806 |
| Molecular Formula | C25H30N2O4 |
| Molecular Weight | 422.5167 |
| SMILES | O=C(N1CCC(C1)C1CN(c2c1cccc2)C(=O)OCc1ccccc1)OC(C)(C)C |
| Synonyms | Benzyl 3-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)indoline-1-carboxylate,
1160248-37-2,
AM804676,
CS-0036880,
benzyl3-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)indoline-1-carboxylate,
Benzyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2,3-dihydroindole-1-carboxylate,
|
| Complexity | 640 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 422.525g/mol |
| Monoisotopic Mass | 422.221g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number