1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H19NO4 — CID 83214662

IUPAC1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCCC2(C)C(=O)O)o1
InChIInChI=1S/C14H19NO4/c1-9-6-7-10(19-9)12(16)15-11-5-3-4-8-14(11,2)13(17)18/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBWLDQRULGQGICF-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.35
Rot. Bonds3

About 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid

1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 83214662) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID83214662
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCCC2(C)C(=O)O)o1
InChIInChI=1S/C14H19NO4/c1-9-6-7-10(19-9)12(16)15-11-5-3-4-8-14(11,2)13(17)18/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBWLDQRULGQGICF-UHFFFAOYSA-N
XLogP2.35
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-[(5-methylfuran-2-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 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 83214662) is 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCCCC2(C)C(=O)O)o1.
What is the InChIKey of 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BWLDQRULGQGICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-7-10(19-9)12(16)15-11-5-3-4-8-14(11,2)13(17)18/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83214662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).