4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

C14H25NO3 — CID 120674506

IUPAC4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CC(C)NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-9(2)8-10(3)15-13(16)11-4-6-12(7-5-11)14(17)18/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyANTKLAAVUBSIAL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds5

About 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 120674506) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID120674506
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CC(C)NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-9(2)8-10(3)15-13(16)11-4-6-12(7-5-11)14(17)18/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyANTKLAAVUBSIAL-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpentan-2-yl)cyclopropanecarboxamide
CID 64592829
4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784879
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795
4-(but-3-yn-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114418702
N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468
4-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673225
1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782296

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 120674506) is 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is CC(C)CC(C)NC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is ANTKLAAVUBSIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)8-10(3)15-13(16)11-4-6-12(7-5-11)14(17)18/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).