3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 103463198

IUPAC3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)CNC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-14(2,3)9-15-13(19)16-11-7-5-6-10(8-11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyZVHWUAIIZKTZJW-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds5

About 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid

3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 103463198) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID103463198
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)CNC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-14(2,3)9-15-13(19)16-11-7-5-6-10(8-11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyZVHWUAIIZKTZJW-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043352
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-[(2-ethyl-2-methylsulfanylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320429
3-[3-(ethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63041759
cis-(1R,3S)-3-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320217
3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732
2-ethyl-2-[[(3-ethylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 115431235
3-(3-ethoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55146734
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 103463198) is 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid is CCC(C)(C)CNC(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ZVHWUAIIZKTZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(2,3)9-15-13(19)16-11-7-5-6-10(8-11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid?
3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103463198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).