4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 63958332

IUPAC4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)N(C)C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C15H28N2O3/c1-6-14(3,4)17(5)13(20)16-15(12(18)19)9-7-11(2)8-10-15/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyXWAMDVOKBVAWDD-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds4

About 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63958332) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63958332
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)N(C)C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C15H28N2O3/c1-6-14(3,4)17(5)13(20)16-15(12(18)19)9-7-11(2)8-10-15/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyXWAMDVOKBVAWDD-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[[methyl(propan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61181106
1-(3-ethylpentan-3-ylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 65042943
1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 63954830
1-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 63228445
1-[[2-cyanoethyl(methyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61184362
1-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089
1-[(2-methoxy-2-methylpropanoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 103018203
N-methyl-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)-N-(2-methylbutan-2-yl)acetamide
CID 169216222
1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61001659
4-methyl-1-(3-methylbutanoylamino)cyclohexane-1-carboxylic acid
CID 43163143
4-methyl-1-(2,3,3-trimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 83142956
4-methyl-1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120529980

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 63958332) is 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCC(C)(C)N(C)C(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is XWAMDVOKBVAWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-14(3,4)17(5)13(20)16-15(12(18)19)9-7-11(2)8-10-15/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63958332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).