2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H23NO3 — CID 120545600

IUPAC2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1=C(C(=O)NC2(C)CCCCC2C(=O)O)CCC1
InChIInChI=1S/C15H23NO3/c1-10-6-5-7-11(10)13(17)16-15(2)9-4-3-8-12(15)14(18)19/h12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWXLJAXBCUDRRHT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.64
Rot. Bonds3

About 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid

2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120545600) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120545600
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1=C(C(=O)NC2(C)CCCCC2C(=O)O)CCC1
InChIInChI=1S/C15H23NO3/c1-10-6-5-7-11(10)13(17)16-15(2)9-4-3-8-12(15)14(18)19/h12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWXLJAXBCUDRRHT-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120690148
2-[(4-chlorothiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 154846768
2-methyl-2-[[4-(methylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120545331
2-[(4-acetylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545198
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545944
2-methyl-2-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545136
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
2-(butanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545841
2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545640
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545119
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120545600) is 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1=C(C(=O)NC2(C)CCCCC2C(=O)O)CCC1.
What is the InChIKey of 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is WXLJAXBCUDRRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-5-7-11(10)13(17)16-15(2)9-4-3-8-12(15)14(18)19/h12H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).