AC1LALBC
benzyl (3aS,6S,6aR)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
Also Known As: J1.681.797J|benzyl (3aS,6S,6aR)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate|(3abeta,6S,6aalpha)-4-(Cyclopropylcarbonyl)-5-oxo-6beta-methyloctahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester|(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-5-oxo-6-methyloctahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester|(3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester|benzyl (3aS,6S,6aR)-4-cyclopropanecarbonyl-6-methyl-5-oxo-octahydropyrrolo[3,2-b]pyrrole-1-carboxylate|Pyrrolo[3,2-b]pyrrole-1(2H)-carboxylic acid, 4-(cyclopropylcarbonyl)hexahydro-6-methyl-5-oxo-, phenylmethyl ester, (3aS,6S,6aR)-|rel-Phenylmethyl (3aR,6R,6aS)-4-(cyclopropylcarbonyl)hexahydro-6-methyl-5-oxopyrrolo[3,2-b]pyrrole-1(2H)-carboxylate
| Molecular Formula | C19H22N2O4 |
|---|---|
| Molecular Weight | 342.15796 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.15796 |
| Monoisotopic Mass | 342.15796 |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 263169-32-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C4CC4 |
| InChIKey | MMMNLJNOOSIRBL-VBNZEHGJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LALBC (CAS 263169-32-0), with molecular formula C19H22N2O4 and molecular weight 342.15796 g/mol. IUPAC: benzyl (3aS,6S,6aR)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate.
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