TL;DR: (2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)-acetic acid (CAS 1217715-92-8) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetic acid
Also Known As: 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetic acid, 2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetic acid, (2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)-acetic acid, 2-(2,5-Dioxo-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepin-3-yl)acetic acid, [(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetic acid
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.06406 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.06406 Da |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)NC(C(=O)N2)CC(=O)O |
| InChIKey | PZADUWCGARVTQN-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that (2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)-acetic acid. Following Lipinski's Rule of Five, (2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)-acetic acid has 3 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 (2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)-acetic acid is 1217715-92-8.
The molecular formula of (2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)-acetic acid is C11H10N2O4.
The molecular weight of (2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)-acetic acid is 234.06406 g/mol.
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