3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H27NO3 — CID 55234824

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(N(C)C(=O)C1CCCC(C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-10(15(2,3)4)16(5)13(17)11-7-6-8-12(9-11)14(18)19/h10-12H,6-9H2,1-5H3,(H,18,19)
InChIKeyUMXHAHWCYNWDMZ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.77
Rot. Bonds3

About 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 55234824) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID55234824
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(N(C)C(=O)C1CCCC(C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C15H27NO3/c1-10(15(2,3)4)16(5)13(17)11-7-6-8-12(9-11)14(18)19/h10-12H,6-9H2,1-5H3,(H,18,19)
InChIKeyUMXHAHWCYNWDMZ-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739333
3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368
3-(3,3-dimethylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115978031
3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550328
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63789915
trans-(1S,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552997
cis-(1R,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124778911
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901
3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551106
N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778623
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 55234824) is 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(N(C)C(=O)C1CCCC(C(=O)O)C1)C(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UMXHAHWCYNWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(15(2,3)4)16(5)13(17)11-7-6-8-12(9-11)14(18)19/h10-12H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55234824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).