TL;DR: Methyl [(4-methylbenzoyl)amino]acetate (CAS 1208-23-7) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(4-methylbenzoyl)amino]acetate
Also Known As: Methyl [(4-methylbenzoyl)amino]acetate, methyl 2-(4-methylbenzamido)acetate, methyl 2-[(4-methylphenyl)formamido]acetate, N-(4-Methylbenzoyl)glycine methyl ester, Glycine, N-(p-toluoyl)-, methyl ester
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.08954 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 Da |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)NCC(=O)OC |
| InChIKey | OIBNTNKRKWKBQG-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(4-methylbenzoyl)amino]acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl [(4-methylbenzoyl)amino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl [(4-methylbenzoyl)amino]acetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl [(4-methylbenzoyl)amino]acetate is 1208-23-7.
The molecular formula of Methyl [(4-methylbenzoyl)amino]acetate is C11H13NO3.
The molecular weight of Methyl [(4-methylbenzoyl)amino]acetate is 207.08954 g/mol.
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