About 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid
2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid (PubChem CID 107842006) has the molecular formula C10H14N2O4
and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid.
Molecular Properties
| Compound Name | 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid |
| PubChem CID | 107842006 |
| Molecular Formula | C10H14N2O4 |
| Molecular Weight | 226.23 g/mol |
| Exact Mass | 226.10 |
| IUPAC Name | 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid |
| SMILES | O=C(O)CC1(N2C(=O)CNC2=O)CCCC1 |
| InChI | InChI=1S/C10H14N2O4/c13-7-6-11-9(16)12(7)10(5-8(14)15)3-1-2-4-10/h1-6H2,(H,11,16)(H,14,15) |
| InChIKey | YSPQCODZUQCGQB-UHFFFAOYSA-N |
| XLogP | 0.33 |
| TPSA | 86.71 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.23 |
| LogP ≤ 5 | 0.33 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid (CID 107842006) is 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid is O=C(O)CC1(N2C(=O)CNC2=O)CCCC1.
What is the InChIKey of 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid?
The InChIKey is YSPQCODZUQCGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-7-6-11-9(16)12(7)10(5-8(14)15)3-1-2-4-10/h1-6H2,(H,11,16)(H,14,15).
What are the key properties of 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid?
2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid has a molecular weight of 226.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dioxoimidazolidin-1-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 107842006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).