1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid

C15H26N2O3 — CID 115446882

IUPAC1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CC(C)CC(NC(=O)NCC2(C(=O)O)CCC2)C1
InChIInChI=1S/C15H26N2O3/c1-10-6-11(2)8-12(7-10)17-14(20)16-9-15(13(18)19)4-3-5-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyBWSHICSVDLCKLS-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.37
Rot. Bonds4

About 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446882) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446882
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CC(C)CC(NC(=O)NCC2(C(=O)O)CCC2)C1
InChIInChI=1S/C15H26N2O3/c1-10-6-11(2)8-12(7-10)17-14(20)16-9-15(13(18)19)4-3-5-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyBWSHICSVDLCKLS-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446550
1-[[(2-propylcyclopropyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114111546
1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446860
1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436966
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
1-[[(5-oxopyrrolidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114156297
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443035
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
1-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311471
1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451388
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 115446882) is 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid is CC1CC(C)CC(NC(=O)NCC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is BWSHICSVDLCKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-6-11(2)8-12(7-10)17-14(20)16-9-15(13(18)19)4-3-5-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).