2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid

C14H25NO3 — CID 102627481

IUPAC2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)C(=O)NC1CCC(C(=O)O)C(C)(C)C1C
InChIInChI=1S/C14H25NO3/c1-8(2)12(16)15-11-7-6-10(13(17)18)14(4,5)9(11)3/h8-11H,6-7H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyCUTCWPSRSFOOHG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.28
Rot. Bonds3

About 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 102627481) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
PubChem CID102627481
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(C)C(=O)NC1CCC(C(=O)O)C(C)(C)C1C
InChIInChI=1S/C14H25NO3/c1-8(2)12(16)15-11-7-6-10(13(17)18)14(4,5)9(11)3/h8-11H,6-7H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyCUTCWPSRSFOOHG-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid (CID 102627481) is 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid is CC(C)C(=O)NC1CCC(C(=O)O)C(C)(C)C1C.
What is the InChIKey of 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is CUTCWPSRSFOOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-8(2)12(16)15-11-7-6-10(13(17)18)14(4,5)9(11)3/h8-11H,6-7H2,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102627481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).