TL;DR: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucylglycine (CAS 1173684-62-2) is a chemical compound with molecular formula C18H22ClN3O4 and molecular weight 379.12988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
Also Known As: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucylglycine, (S)-2-(2-(5-chloro-1-methyl-1H-indole-2-carboxamido)-4-methylpentanamido)acetic acid, 2-[[2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]amino]acetic Acid, 2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
| Molecular Formula | C18H22ClN3O4 |
| Molecular Weight | 379.12988 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.12988 Da |
| Heavy Atoms | 26 |
| Complexity | 543.0 |
| SMILES | CC(C)C[C@@H](C(=O)NCC(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl |
| InChIKey | RPWROOFTYXCGJU-ZDUSSCGKSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucylglycine. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucylglycine. Following Lipinski's Rule of Five, N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucylglycine 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 N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucylglycine is 1173684-62-2.
The molecular formula of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucylglycine is C18H22ClN3O4.
The molecular weight of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-leucylglycine is 379.12988 g/mol.
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