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

C14H25NO3 — CID 63789915

IUPAC3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)CN(C)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-4-10(2)9-15(3)13(16)11-6-5-7-12(8-11)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyPBCTXJCSAXTALK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.38
Rot. Bonds5

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

3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63789915) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63789915
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)CN(C)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-4-10(2)9-15(3)13(16)11-6-5-7-12(8-11)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyPBCTXJCSAXTALK-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368
3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044097
3-[ethyl(2-ethylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784340
4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 60847602
3-[2-ethoxyethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81061705
3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63783173
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55234824
3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102995766
3-[(3-fluorocyclohexanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 122126147
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63789915) is 3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid is CCC(C)CN(C)C(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PBCTXJCSAXTALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-10(2)9-15(3)13(16)11-6-5-7-12(8-11)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63789915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).