TL;DR: methyl 3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate (CAS 1212493-10-1) is a chemical compound with molecular formula C22H29N3O3 and molecular weight 383.2209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]-1H-indole-2-carboxylate
Also Known As: methyl 3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate, Methyl 3-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acetyl]amino]-1H-indole-2-carboxylate, methyl 3-[[2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)acetyl]amino]-1H-indole-2-carboxylate, methyl 3-{[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acetyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C22H29N3O3 |
| Molecular Weight | 383.2209 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 74.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.2209 Da |
| Heavy Atoms | 28 |
| Complexity | 637.0 |
| SMILES | CC1(CC2CC(C1)(CN2CC(=O)NC3=C(NC4=CC=CC=C43)C(=O)OC)C)C |
| InChIKey | SSTRELGFKVZOAD-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that methyl 3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is 1212493-10-1.
The molecular formula of methyl 3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is C22H29N3O3.
The molecular weight of methyl 3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is 383.2209 g/mol.
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