TL;DR: (S,E)-2-(4-styrylpiperazine-1-carboxamido)propanoic acid (CAS 1173671-80-1) is a chemical compound with molecular formula C16H21N3O3 and molecular weight 303.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-[(E)-2-phenylethenyl]piperazine-1-carbonyl]amino]propanoic acid
Also Known As: (S,E)-2-(4-styrylpiperazine-1-carboxamido)propanoic acid, 2-[[4-(2-phenylethenyl)piperazine-1-carbonyl]amino]propanoic Acid, N-({4-[(E)-2-phenylethenyl]piperazin-1-yl}carbonyl)-L-alanine, (2S)-2-[[4-[(E)-2-phenylethenyl]piperazine-1-carbonyl]amino]propanoic acid
| Molecular Formula | C16H21N3O3 |
| Molecular Weight | 303.1583 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.1583 Da |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)N1CCN(CC1)/C=C/C2=CC=CC=C2 |
| InChIKey | VHHVAVARDRAVAG-GWJCSSMESA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S,E)-2-(4-styrylpiperazine-1-carboxamido)propanoic acid. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S,E)-2-(4-styrylpiperazine-1-carboxamido)propanoic acid. Following Lipinski's Rule of Five, (S,E)-2-(4-styrylpiperazine-1-carboxamido)propanoic acid has 2 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 (S,E)-2-(4-styrylpiperazine-1-carboxamido)propanoic acid is 1173671-80-1.
The molecular formula of (S,E)-2-(4-styrylpiperazine-1-carboxamido)propanoic acid is C16H21N3O3.
The molecular weight of (S,E)-2-(4-styrylpiperazine-1-carboxamido)propanoic acid is 303.1583 g/mol.
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