2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid

C14H25NO3 — CID 22082197

IUPAC2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C(=O)NC1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H25NO3/c1-5-14(3,4)13(18)15-10-8-6-7-9(2)11(10)12(16)17/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyLTEOSEGMOLMATJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds4

About 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid

2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid (PubChem CID 22082197) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid
PubChem CID22082197
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C(=O)NC1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H25NO3/c1-5-14(3,4)13(18)15-10-8-6-7-9(2)11(10)12(16)17/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyLTEOSEGMOLMATJ-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid (CID 22082197) is 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid is CCC(C)(C)C(=O)NC1CCCC(C)C1C(=O)O.
What is the InChIKey of 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid?
The InChIKey is LTEOSEGMOLMATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-14(3,4)13(18)15-10-8-6-7-9(2)11(10)12(16)17/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid?
2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 22082197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).