2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

C13H23NO3 — CID 43529282

IUPAC2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-4-13(2,3)14-11(15)9-7-5-6-8-10(9)12(16)17/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyODSLLOVLNXKMEL-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds4

About 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 43529282) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID43529282
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-4-13(2,3)14-11(15)9-7-5-6-8-10(9)12(16)17/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyODSLLOVLNXKMEL-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978846
cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107846643
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092685
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724
2-[2-[2,2-dimethylbutanoyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20761270
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
2-(2,2,5-trimethylhexan-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 71041761
cis-(1S,2R)-2-[methyl(2-methylbutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114092372
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 43529282) is 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is CCC(C)(C)NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is ODSLLOVLNXKMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-13(2,3)14-11(15)9-7-5-6-8-10(9)12(16)17/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43529282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).