TL;DR: N-[(4-ethylphenyl)carbamoyl]-L-alanine (CAS 1173676-16-8) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(4-ethylphenyl)carbamoylamino]propanoic acid
Also Known As: N-[(4-ethylphenyl)carbamoyl]-L-alanine, (S)-2-(3-(4-ethylphenyl)ureido)propanoic acid, 2-[(4-ethylphenyl)carbamoylamino]propanoic Acid, (2S)-2-[(4-ethylphenyl)carbamoylamino]propanoic acid
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.11609 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | CCC1=CC=C(C=C1)NC(=O)N[C@@H](C)C(=O)O |
| InChIKey | QEJODJPPGMRNTO-QMMMGPOBSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-ethylphenyl)carbamoyl]-L-alanine. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-ethylphenyl)carbamoyl]-L-alanine. Following Lipinski's Rule of Five, N-[(4-ethylphenyl)carbamoyl]-L-alanine has 3 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 N-[(4-ethylphenyl)carbamoyl]-L-alanine is 1173676-16-8.
The molecular formula of N-[(4-ethylphenyl)carbamoyl]-L-alanine is C12H16N2O3.
The molecular weight of N-[(4-ethylphenyl)carbamoyl]-L-alanine is 236.11609 g/mol.
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