4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid

C16H26N2O3 — CID 122017165

IUPAC4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC(C1CCC1)C1CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)12-6-8-13(9-7-12)17-16(21)18-14(11-4-5-11)10-2-1-3-10/h10-14H,1-9H2,(H,19,20)(H2,17,18,21)
InChIKeyGNLBLGZEPNJOTM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.51
Rot. Bonds5

About 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122017165) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122017165
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC(C1CCC1)C1CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)12-6-8-13(9-7-12)17-16(21)18-14(11-4-5-11)10-2-1-3-10/h10-14H,1-9H2,(H,19,20)(H2,17,18,21)
InChIKeyGNLBLGZEPNJOTM-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122005026
4-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089818
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61465769
4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122014713
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
4-(4,4-dimethylpent-1-yn-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122024777
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001950
4-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 61478888
4-(thiolan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103064077
4-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024567

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122017165) is 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)NC(C1CCC1)C1CC1.
What is the InChIKey of 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is GNLBLGZEPNJOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15(20)12-6-8-13(9-7-12)17-16(21)18-14(11-4-5-11)10-2-1-3-10/h10-14H,1-9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122017165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).