TL;DR: (2S)-1-[4-(Morpholine-4-sulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid (CAS 1214629-60-3) is a chemical compound with molecular formula C15H19N3O7S and molecular weight 385.09436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid
Also Known As: (2S)-1-[4-(MORPHOLINE-4-SULFONYL)-2-NITROPHENYL]PYRROLIDINE-2-CARBOXYLIC ACID, (2S)-1-[4-(morpholin-4-ylsulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid, 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxylic Acid, (2S)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid, (2S)-1-[4-(MORPHOLINE-4-SULFONYL)-2-NITROPHENYL]PYRROLIDINE-2-CARBOXYLICACID
| Molecular Formula | C15H19N3O7S |
| Molecular Weight | 385.09436 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.09436 Da |
| Heavy Atoms | 26 |
| Complexity | 639.0 |
| SMILES | C1C[C@H](N(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)O |
| InChIKey | VLXKCNCMNNMBSV-ZDUSSCGKSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-1-[4-(Morpholine-4-sulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting (2S)-1-[4-(Morpholine-4-sulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-1-[4-(Morpholine-4-sulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-1-[4-(Morpholine-4-sulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid is 1214629-60-3.
The molecular formula of (2S)-1-[4-(Morpholine-4-sulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid is C15H19N3O7S.
The molecular weight of (2S)-1-[4-(Morpholine-4-sulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid is 385.09436 g/mol.
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