4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid

C10H14N2O4 — CID 58356180

IUPAC4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C10H14N2O4/c13-8-5-11-10(16)12(8)7-3-1-6(2-4-7)9(14)15/h6-7H,1-5H2,(H,11,16)(H,14,15)
InChIKeyMQONYVMVLJNBFY-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.18
Rot. Bonds2

About 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid

4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 58356180) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID58356180
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C10H14N2O4/c13-8-5-11-10(16)12(8)7-3-1-6(2-4-7)9(14)15/h6-7H,1-5H2,(H,11,16)(H,14,15)
InChIKeyMQONYVMVLJNBFY-UHFFFAOYSA-N
XLogP0.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid (CID 58356180) is 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is MQONYVMVLJNBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-8-5-11-10(16)12(8)7-3-1-6(2-4-7)9(14)15/h6-7H,1-5H2,(H,11,16)(H,14,15).
What are the key properties of 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58356180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).