1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 115436966

IUPAC1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NCC2(C(=O)O)CCCCC2)C1C
InChIInChI=1S/C16H28N2O3/c1-11-6-7-13(12(11)2)18-15(21)17-10-16(14(19)20)8-4-3-5-9-16/h11-13H,3-10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyCUEKXZQVGCTWRD-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.76
Rot. Bonds4

About 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid

1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436966) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436966
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NCC2(C(=O)O)CCCCC2)C1C
InChIInChI=1S/C16H28N2O3/c1-11-6-7-13(12(11)2)18-15(21)17-10-16(14(19)20)8-4-3-5-9-16/h11-13H,3-10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyCUEKXZQVGCTWRD-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
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

4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440584
2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162990
1-[[(2-aminocyclohexyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434096
1-[[(2-propylcyclopropyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114111546
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976
1-(2,3-dimethylcyclopentyl)-3-ethylurea
CID 116656362
1-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446606
1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446882
1-[[(2,6-dimethylpiperidin-1-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83017877
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
1-[(dimethylaminocarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 83018157
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 115436966) is 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)NCC2(C(=O)O)CCCCC2)C1C.
What is the InChIKey of 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CUEKXZQVGCTWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-6-7-13(12(11)2)18-15(21)17-10-16(14(19)20)8-4-3-5-9-16/h11-13H,3-10H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).