4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid

C14H25NO2 — CID 102631049

IUPAC4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1C(NC2CCC2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H25NO2/c1-9-12(15-10-5-4-6-10)8-7-11(13(16)17)14(9,2)3/h9-12,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyMKTMFJHUXBQIQK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.65
Rot. Bonds3

About 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid

4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid (PubChem CID 102631049) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
PubChem CID102631049
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1C(NC2CCC2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H25NO2/c1-9-12(15-10-5-4-6-10)8-7-11(13(16)17)14(9,2)3/h9-12,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyMKTMFJHUXBQIQK-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid (CID 102631049) is 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid is CC1C(NC2CCC2)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The InChIKey is MKTMFJHUXBQIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-9-12(15-10-5-4-6-10)8-7-11(13(16)17)14(9,2)3/h9-12,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 102631049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).