3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid

C11H18N2O3 — CID 61292826

IUPAC3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCNC2=O)C1
InChIInChI=1S/C11H18N2O3/c1-8-3-2-4-11(7-8,9(14)15)13-6-5-12-10(13)16/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyAKAKUOMQPVEDDA-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.05
Rot. Bonds2

About 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid

3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 61292826) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID61292826
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCNC2=O)C1
InChIInChI=1S/C11H18N2O3/c1-8-3-2-4-11(7-8,9(14)15)13-6-5-12-10(13)16/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyAKAKUOMQPVEDDA-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 61002837
3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
1-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-diazinan-2-one
CID 104549525
1-[1-(aminomethyl)-3-methylcyclohexyl]imidazolidin-2-one
CID 63763914
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 61291676
1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 114994922
1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid
CID 79695262
3-methyl-1-(1,2,4-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 62267893
1-[(1-hydroxy-3-methylcyclohexyl)methyl]imidazolidin-2-one
CID 115370735
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 114990462
1-(1-methylcyclopentyl)imidazolidin-2-one
CID 115370733
[(1-cyano-3-methylcyclohexyl)amino] 2-oxoimidazolidine-1-carbodithioate
CID 11208754

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid (CID 61292826) is 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid is CC1CCCC(C(=O)O)(N2CCNC2=O)C1.
What is the InChIKey of 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is AKAKUOMQPVEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-3-2-4-11(7-8,9(14)15)13-6-5-12-10(13)16/h8H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid?
3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61292826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).