TL;DR: ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate (CAS 150012-88-7) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
Also Known As: ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate, ZERO/004824, 1,2-trimethylene-4-amino-5-ethoxycarbonylimidazole, 5H-Pyrrolo[1,2-a]imidazole-3-carboxylic acid, 2-amino-6,7-dihydro-, ethyl ester, 5H-Pyrrolo[1,2-a]imidazole-3-carboxylicacid,2-amino-6,7-dihydro-,ethylester
| Molecular Formula | C9H13N3O2 |
| Molecular Weight | 195.10077 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.10077 Da |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
| SMILES | CCOC(=O)C1=C(N=C2N1CCC2)N |
| InChIKey | AIRDKVZFOXEKFK-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate has 1 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 ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is 150012-88-7.
The molecular formula of ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is C9H13N3O2.
The molecular weight of ethyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate is 195.10077 g/mol.
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