2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid

C14H26N2O3 — CID 79801081

IUPAC2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC1CCCC(NC(=O)NC(C)(CC)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10-7-6-8-11(9-10)15-13(19)16-14(3,5-2)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyDJRXQCOKBXMMHK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.51
Rot. Bonds5

About 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid

2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 79801081) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
PubChem CID79801081
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC1CCCC(NC(=O)NC(C)(CC)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10-7-6-8-11(9-10)15-13(19)16-14(3,5-2)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyDJRXQCOKBXMMHK-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

2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
3-[(3-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 64743923
2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801005
2-ethyl-2-[[(3-ethylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 115431235
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
CID 79801618
2-methyl-2-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 103064032
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80541030
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
3-amino-N-(3-ethylcyclohexyl)-3-methylbutanamide
CID 64747634
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid (CID 79801081) is 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid is CCC1CCCC(NC(=O)NC(C)(CC)C(=O)O)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is DJRXQCOKBXMMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10-7-6-8-11(9-10)15-13(19)16-14(3,5-2)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic 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 2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79801081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).