2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 107971728

IUPAC2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1C(NC(=O)c2cn(C)cn2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C15H23N3O3/c1-9-11(6-5-10(14(20)21)15(9,2)3)17-13(19)12-7-18(4)8-16-12/h7-11H,5-6H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyCDYXGOSQSCXGLF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.68
Rot. Bonds3

About 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 107971728) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID107971728
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1C(NC(=O)c2cn(C)cn2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C15H23N3O3/c1-9-11(6-5-10(14(20)21)15(9,2)3)17-13(19)12-7-18(4)8-16-12/h7-11H,5-6H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyCDYXGOSQSCXGLF-UHFFFAOYSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 107971728) is 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1C(NC(=O)c2cn(C)cn2)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CDYXGOSQSCXGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-11(6-5-10(14(20)21)15(9,2)3)17-13(19)12-7-18(4)8-16-12/h7-11H,5-6H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107971728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).