4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid

C13H20N2O3 — CID 118753937

IUPAC4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCN1CCN(C23CCC(C(=O)O)(CC2)CC3)C1=O
InChIInChI=1S/C13H20N2O3/c1-14-8-9-15(11(14)18)13-5-2-12(3-6-13,4-7-13)10(16)17/h2-9H2,1H3,(H,16,17)
InChIKeyLRFILBOISPIOCF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.53
Rot. Bonds2

About 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid

4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid (PubChem CID 118753937) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid
PubChem CID118753937
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid
SMILESCN1CCN(C23CCC(C(=O)O)(CC2)CC3)C1=O
InChIInChI=1S/C13H20N2O3/c1-14-8-9-15(11(14)18)13-5-2-12(3-6-13,4-7-13)10(16)17/h2-9H2,1H3,(H,16,17)
InChIKeyLRFILBOISPIOCF-UHFFFAOYSA-N
XLogP1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid?
The IUPAC name of 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid (CID 118753937) is 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid.
What is the SMILES notation for 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid?
The canonical SMILES for 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid is CN1CCN(C23CCC(C(=O)O)(CC2)CC3)C1=O.
What is the InChIKey of 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid?
The InChIKey is LRFILBOISPIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14-8-9-15(11(14)18)13-5-2-12(3-6-13,4-7-13)10(16)17/h2-9H2,1H3,(H,16,17).
What are the key properties of 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid?
4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-oxoimidazolidin-1-yl)bicyclo[2.2.2]octane-1-carboxylic acid is sourced from PubChem (CID 118753937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).