TL;DR: 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (2S)- (CAS 152754-55-7) is a chemical compound with molecular formula C13H21NO4 and molecular weight 255.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylic acid
Also Known As: pipecolyl acid, (S)-1-(3,3-Dimethyl-2-oxopentanoyl)piperidine-2-carboxylic acid, 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (2S)-, (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylic acid, J1.264.903G
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.14706 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.14706 Da |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
| SMILES | CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O |
| InChIKey | GWXADOKFGBKLOD-VIFPVBQESA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (2S)-. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (2S)-. Following Lipinski's Rule of Five, 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (2S)- has 1 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 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (2S)- is 152754-55-7.
The molecular formula of 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (2S)- is C13H21NO4.
The molecular weight of 2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (2S)- is 255.14706 g/mol.
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