2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid

C15H22N2O3 — CID 83213821

IUPAC2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCCC2(C)C(=O)O)n1C
InChIInChI=1S/C15H22N2O3/c1-10-7-8-11(17(10)3)13(18)16-12-6-4-5-9-15(12,2)14(19)20/h7-8,12H,4-6,9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeySTQVYIRMENGHGL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.10
Rot. Bonds3

About 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid

2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 83213821) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
PubChem CID83213821
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCCC2(C)C(=O)O)n1C
InChIInChI=1S/C15H22N2O3/c1-10-7-8-11(17(10)3)13(18)16-12-6-4-5-9-15(12,2)14(19)20/h7-8,12H,4-6,9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeySTQVYIRMENGHGL-UHFFFAOYSA-N
XLogP2.10
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-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-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid (CID 83213821) is 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCCCC2(C)C(=O)O)n1C.
What is the InChIKey of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is STQVYIRMENGHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-7-8-11(17(10)3)13(18)16-12-6-4-5-9-15(12,2)14(19)20/h7-8,12H,4-6,9H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid?
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83213821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).