2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 113471946

IUPAC2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCCC(C)(C)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-9-14(2,3)16-13(19)15-11-8-6-5-7-10(11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyURNDCEBCNUVXQX-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.51
Rot. Bonds5

About 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 113471946) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID113471946
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCCC(C)(C)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-9-14(2,3)16-13(19)15-11-8-6-5-7-10(11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyURNDCEBCNUVXQX-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 113471946) is 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CCCC(C)(C)NC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is URNDCEBCNUVXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-9-14(2,3)16-13(19)15-11-8-6-5-7-10(11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113471946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).