1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

C16H28N2O3 — CID 115446860

IUPAC1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CCC(CCNC(=O)NCC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-12-3-5-13(6-4-12)7-10-17-15(21)18-11-16(14(19)20)8-2-9-16/h12-13H,2-11H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyALALZQZEVPXSMH-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.76
Rot. Bonds6

About 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446860) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446860
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC1CCC(CCNC(=O)NCC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-12-3-5-13(6-4-12)7-10-17-15(21)18-11-16(14(19)20)8-2-9-16/h12-13H,2-11H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyALALZQZEVPXSMH-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440979
1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446550
1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446882
1-[[2-(methanesulfonamido)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311330
1-[(4,4,4-trifluorobutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113327941
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 115446860) is 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is CC1CCC(CCNC(=O)NCC2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ALALZQZEVPXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-3-5-13(6-4-12)7-10-17-15(21)18-11-16(14(19)20)8-2-9-16/h12-13H,2-11H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).