4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C13H23NO2 — CID 82235061

IUPAC4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CCC(C)C2)CC1
InChIInChI=1S/C13H23NO2/c1-10-3-6-13(7-4-10,12(15)16)14-8-5-11(2)9-14/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyDFAHCPSNHRNRJV-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds2

About 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid

4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 82235061) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID82235061
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CCC(C)C2)CC1
InChIInChI=1S/C13H23NO2/c1-10-3-6-13(7-4-10,12(15)16)14-8-5-11(2)9-14/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyDFAHCPSNHRNRJV-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235039
4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114994673
4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 79580790
1-(2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
CID 61291058
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 114996562
4-methyl-1-(4-oxo-1-pyridinyl)cyclohexane-1-carboxylic acid
CID 114992103
3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 64745091
[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol
CID 104549467
ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 170766986
1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 114994922
1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235388
1-bromo-4-methylcyclohexane-1-carboxylic acid
CID 139659784

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 82235061) is 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(N2CCC(C)C2)CC1.
What is the InChIKey of 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is DFAHCPSNHRNRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-3-6-13(7-4-10,12(15)16)14-8-5-11(2)9-14/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82235061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).