TL;DR: (2S)-3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic acid (CAS 115766-00-2) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic acid
Also Known As: N-(1-pyrrolidinylcarbonyl)-L-phenylalanine, (S)-3-phenyl-2-(pyrrolidine-1-carboxamido)propanoic acid, (2S)-3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic acid, 3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic Acid
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.13174 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.13174 Da |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
| SMILES | C1CCN(C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O |
| InChIKey | YDKYDCMXSQCOMQ-LBPRGKRZSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic acid. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic acid. Following Lipinski's Rule of Five, (2S)-3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic acid has 2 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 (2S)-3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic acid is 115766-00-2.
The molecular formula of (2S)-3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic acid is C14H18N2O3.
The molecular weight of (2S)-3-phenyl-2-(pyrrolidine-1-carbonylamino)propanoic acid is 262.13174 g/mol.
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