4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid

C13H22N2O3 — CID 61198859

IUPAC4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-8(9-2-3-9)14-13(18)15-11-6-4-10(5-7-11)12(16)17/h8-11H,2-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyLBCLQTUTXBPXEG-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.73
Rot. Bonds4

About 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid

4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61198859) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID61198859
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-8(9-2-3-9)14-13(18)15-11-6-4-10(5-7-11)12(16)17/h8-11H,2-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyLBCLQTUTXBPXEG-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017165
4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122005026
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465769
4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61478888
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
4-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089818
4-(4,4-dimethylpent-1-yn-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122024777
4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001950
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614
4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122014713

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 61198859) is 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid is CC(NC(=O)NC1CCC(C(=O)O)CC1)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is LBCLQTUTXBPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(9-2-3-9)14-13(18)15-11-6-4-10(5-7-11)12(16)17/h8-11H,2-7H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61198859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).