4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

C14H14N2O4 — CID 134494482

IUPAC4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESO=C1NC(=O)C(c2ccc(C(=O)O)cc2)(C2CCC2)N1
InChIInChI=1S/C14H14N2O4/c17-11(18)8-4-6-10(7-5-8)14(9-2-1-3-9)12(19)15-13(20)16-14/h4-7,9H,1-3H2,(H,17,18)(H2,15,16,19,20)
InChIKeyFYITYSJDGTZEML-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.22
Rot. Bonds3

About 4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (PubChem CID 134494482) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
PubChem CID134494482
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
SMILESO=C1NC(=O)C(c2ccc(C(=O)O)cc2)(C2CCC2)N1
InChIInChI=1S/C14H14N2O4/c17-11(18)8-4-6-10(7-5-8)14(9-2-1-3-9)12(19)15-13(20)16-14/h4-7,9H,1-3H2,(H,17,18)(H2,15,16,19,20)
InChIKeyFYITYSJDGTZEML-UHFFFAOYSA-N
XLogP1.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.22
H-Bond Donors ≤ 53
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-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The IUPAC name of 4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid (CID 134494482) is 4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid.
What is the SMILES notation for 4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The canonical SMILES for 4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is O=C1NC(=O)C(c2ccc(C(=O)O)cc2)(C2CCC2)N1.
What is the InChIKey of 4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
The InChIKey is FYITYSJDGTZEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-11(18)8-4-6-10(7-5-8)14(9-2-1-3-9)12(19)15-13(20)16-14/h4-7,9H,1-3H2,(H,17,18)(H2,15,16,19,20).
What are the key properties of 4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid?
4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid is sourced from PubChem (CID 134494482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).