4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 61202146

IUPAC4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(CC)N(C)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-12(5-2)16(3)14(19)15-11-8-6-10(7-9-11)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCSGPMXJGLMUUNL-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61202146) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61202146
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(CC)N(C)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-4-12(5-2)16(3)14(19)15-11-8-6-10(7-9-11)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCSGPMXJGLMUUNL-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61437333
cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319531
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63700992
3-cyclopropyl-1-methyl-1-pentan-2-ylurea
CID 115581567
1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
4-[bis(2,2-dimethylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023696
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
CID 82985549
4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024515

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61202146) is 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCC(CC)N(C)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CSGPMXJGLMUUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-12(5-2)16(3)14(19)15-11-8-6-10(7-9-11)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61202146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).