3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C15H25NO3 — CID 64836209

IUPAC3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2C(C(=O)O)C2(C)C)C(C)C1
InChIInChI=1S/C15H25NO3/c1-8-5-6-10(9(2)7-8)16-13(17)11-12(14(18)19)15(11,3)4/h8-12H,5-7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMUBLPJGFUSJSGU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.28
Rot. Bonds3

About 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64836209) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64836209
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2C(C(=O)O)C2(C)C)C(C)C1
InChIInChI=1S/C15H25NO3/c1-8-5-6-10(9(2)7-8)16-13(17)11-12(14(18)19)15(11,3)4/h8-12H,5-7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMUBLPJGFUSJSGU-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,4-dimethylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63997990
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239
3-[(2-hydroxycyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834681
3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834865
2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64836565
3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834981
cis-(1R,3S)-3-(cyclooctylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091608
1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 81169428
(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 63997751
4-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63997378
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835591
methyl 2-[(2,4-dimethylcyclohexyl)amino]-2-oxoacetate
CID 112617292

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64836209) is 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1CCC(NC(=O)C2C(C(=O)O)C2(C)C)C(C)C1.
What is the InChIKey of 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is MUBLPJGFUSJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-8-5-6-10(9(2)7-8)16-13(17)11-12(14(18)19)15(11,3)4/h8-12H,5-7H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 267.37 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 3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64836209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).