4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid

C14H25NO3 — CID 115277291

IUPAC4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CCC(=O)N(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)4-9-13(16)15(3)12-7-5-11(6-8-12)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyCNMPOBGGGHLAIE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.52
Rot. Bonds5

About 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid

4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115277291) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115277291
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CCC(=O)N(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)4-9-13(16)15(3)12-7-5-11(6-8-12)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyCNMPOBGGGHLAIE-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 116817200
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115277300
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
N-(4-ethylcyclohexyl)-4-hydroxy-N-methylpentanamide
CID 79191579
5-amino-N,4-dimethyl-N-(4-methylcyclohexyl)pentanamide
CID 82011588
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 61488998
N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide
CID 102637926
N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 60605546

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid (CID 115277291) is 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid is CC(C)CCC(=O)N(C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CNMPOBGGGHLAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)4-9-13(16)15(3)12-7-5-11(6-8-12)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115277291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).