2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H20N2O3 — CID 120545119

IUPAC2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1cccc1C(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(8-4-3-6-10(14)13(18)19)15-12(17)11-7-5-9-16(11)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCMMHNLDTKPQOSI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.79
Rot. Bonds3

About 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120545119) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120545119
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1cccc1C(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(8-4-3-6-10(14)13(18)19)15-12(17)11-7-5-9-16(11)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCMMHNLDTKPQOSI-UHFFFAOYSA-N
XLogP1.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120545119) is 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1cccc1C(=O)NC1(C)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CMMHNLDTKPQOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(8-4-3-6-10(14)13(18)19)15-12(17)11-7-5-9-16(11)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).