3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C16H27NO2 — CID 65069936

IUPAC3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1CCCC(NC2C3CCC(C3)C2C(=O)O)C1C
InChIInChI=1S/C16H27NO2/c1-9-4-3-5-13(10(9)2)17-15-12-7-6-11(8-12)14(15)16(18)19/h9-15,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyQZMLJIYGYANMNY-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds3

About 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 65069936) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID65069936
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1CCCC(NC2C3CCC(C3)C2C(=O)O)C1C
InChIInChI=1S/C16H27NO2/c1-9-4-3-5-13(10(9)2)17-15-12-7-6-11(8-12)14(15)16(18)19/h9-15,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyQZMLJIYGYANMNY-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-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

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 65069936) is 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is CC1CCCC(NC2C3CCC(C3)C2C(=O)O)C1C.
What is the InChIKey of 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is QZMLJIYGYANMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-9-4-3-5-13(10(9)2)17-15-12-7-6-11(8-12)14(15)16(18)19/h9-15,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 265.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclohexyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 65069936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).