TL;DR: Methyl N-[(benzyloxy)carbonyl]glycylalaninate (CAS 16816-28-7) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate
Also Known As: 2,6-dimethylphenyl methyl sulphoxide, Methyl N-[(benzyloxy)carbonyl]glycylalaninate, L-Alanine,N-[(phenylmethoxy)carbonyl]glycyl-, methyl ester, methyl 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate
| Molecular Formula | C14H18N2O5 |
| Molecular Weight | 294.12158 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.12158 Da |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
| SMILES | CC(C(=O)OC)NC(=O)CNC(=O)OCC1=CC=CC=C1 |
| InChIKey | FRAUDHDTLOHHJY-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-[(benzyloxy)carbonyl]glycylalaninate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-[(benzyloxy)carbonyl]glycylalaninate. Following Lipinski's Rule of Five, Methyl N-[(benzyloxy)carbonyl]glycylalaninate 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 Methyl N-[(benzyloxy)carbonyl]glycylalaninate is 16816-28-7.
The molecular formula of Methyl N-[(benzyloxy)carbonyl]glycylalaninate is C14H18N2O5.
The molecular weight of Methyl N-[(benzyloxy)carbonyl]glycylalaninate is 294.12158 g/mol.
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