TL;DR: N-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-leucine (CAS 1173668-31-9) is a chemical compound with molecular formula C13H26N2O4 and molecular weight 274.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid
Also Known As: N-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-leucine, (S)-2-(3-(3-isopropoxypropyl)ureido)-4-methylpentanoic acid, 4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic Acid, (2S)-4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid
| Molecular Formula | C13H26N2O4 |
| Molecular Weight | 274.18927 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.18927 Da |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)NCCCOC(C)C |
| InChIKey | PYDMIRBBKQEBFL-NSHDSACASA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-leucine. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-leucine. Following Lipinski's Rule of Five, N-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-leucine 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-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-leucine is 1173668-31-9.
The molecular formula of N-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-leucine is C13H26N2O4.
The molecular weight of N-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-leucine is 274.18927 g/mol.
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