3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C14H26N2O3 — CID 63044097

IUPAC3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)CN(C)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(2)9-16(3)14(19)15-12-7-5-6-11(8-12)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWUZAURAXVANWOK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

About 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63044097) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63044097
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)CN(C)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(2)9-16(3)14(19)15-12-7-5-6-11(8-12)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWUZAURAXVANWOK-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
3-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043742
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63789915
3-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043366
3-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042305
3-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044100
cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319528
3-[[2-(butan-2-ylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043134
3-[[2-[acetyl(methyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043639
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 63044097) is 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCC(C)CN(C)C(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WUZAURAXVANWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10(2)9-16(3)14(19)15-12-7-5-6-11(8-12)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).