TL;DR: N-[(4-ethoxyphenyl)carbamoyl]-L-alanine (CAS 1173669-87-8) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]propanoic acid
Also Known As: N-[(4-ethoxyphenyl)carbamoyl]-L-alanine, 2-[(4-ethoxyphenyl)carbamoylamino]propanoic Acid, (S)-2-(3-(4-ethoxyphenyl)ureido)propanoic acid, (2S)-2-[(4-ethoxyphenyl)carbamoylamino]propanoic acid
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.11101 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11101 Da |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)N[C@@H](C)C(=O)O |
| InChIKey | UQWORKGCLUEWFL-QMMMGPOBSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-ethoxyphenyl)carbamoyl]-L-alanine. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-ethoxyphenyl)carbamoyl]-L-alanine. Following Lipinski's Rule of Five, N-[(4-ethoxyphenyl)carbamoyl]-L-alanine 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-[(4-ethoxyphenyl)carbamoyl]-L-alanine is 1173669-87-8.
The molecular formula of N-[(4-ethoxyphenyl)carbamoyl]-L-alanine is C12H16N2O4.
The molecular weight of N-[(4-ethoxyphenyl)carbamoyl]-L-alanine is 252.11101 g/mol.
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