3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 106330490

IUPAC3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC(C)(CC)NC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-14(3,5-2)16-13(19)15-11-8-6-7-10(9-11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyUUMZSSKMFQNSJP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.51
Rot. Bonds5

About 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid

3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 106330490) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID106330490
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC(C)(CC)NC(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-14(3,5-2)16-13(19)15-11-8-6-7-10(9-11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyUUMZSSKMFQNSJP-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
CID 116658153
2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
cis-(1S,3R)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 7073973
3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64914232
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043352
3-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 63044575
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
3-[3-(ethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63041759
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 106330490) is 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CCC(C)(CC)NC(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is UUMZSSKMFQNSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-14(3,5-2)16-13(19)15-11-8-6-7-10(9-11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.37 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 3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106330490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).