TL;DR: (2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]propanoic acid (CAS 1173677-45-6) is a chemical compound with molecular formula C17H19N3O5 and molecular weight 345.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]propanoic acid
Also Known As: (2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]propanoic acid, (R)-2-(3-((S)-1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)propanamido)propanoic acid, N-{3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoyl}-D-alanine
| Molecular Formula | C17H19N3O5 |
| Molecular Weight | 345.13248 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.13248 Da |
| Heavy Atoms | 25 |
| Complexity | 593.0 |
| SMILES | C[C@H](C(=O)O)NC(=O)CCN1C(=O)[C@@H]2CC3=CC=CC=C3CN2C1=O |
| InChIKey | ZKWGPPHBRBXHIT-MFKMUULPSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]propanoic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]propanoic acid. Following Lipinski's Rule of Five, (2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]propanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]propanoic acid is 1173677-45-6.
The molecular formula of (2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]propanoic acid is C17H19N3O5.
The molecular weight of (2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]propanoic acid is 345.13248 g/mol.
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