TL;DR: [1-(Cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid (CAS 1033600-29-1) is a chemical compound with molecular formula C13H22N2O3 and molecular weight 254.16304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetic acid
Also Known As: [1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid|KS-000040C4|2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetic acid|AB01333136-02|AN-329/43248833|2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid|[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetic acid|2-(1-(Cyclohexylmethyl)-3-oxopiperazin-2-yl)acetic acid|2-[1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]acetic Acid|STK324189|ST45045258
| Molecular Formula | C13H22N2O3 |
| Molecular Weight | 254.16304 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.16304 Da |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
| SMILES | C1CCC(CC1)CN2CCNC(=O)C2CC(=O)O |
| InChIKey | AJFRMWAAAYOLHJ-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that [1-(Cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(Cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid. Following Lipinski's Rule of Five, [1-(Cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic 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 [1-(Cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid is 1033600-29-1.
The molecular formula of [1-(Cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid is C13H22N2O3.
The molecular weight of [1-(Cyclohexylmethyl)-3-oxo-2-piperazinyl]acetic acid is 254.16304 g/mol.
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