2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C15H20N2O2 — CID 55125729

IUPAC2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCN(CC1CCC1)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H20N2O2/c1-17(9-10-4-2-5-10)14-12(15(18)19)8-11-6-3-7-13(11)16-14/h8,10H,2-7,9H2,1H3,(H,18,19)
InChIKeyOXKLJSWMBLHCQB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds4

About 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 55125729) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID55125729
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCN(CC1CCC1)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H20N2O2/c1-17(9-10-4-2-5-10)14-12(15(18)19)8-11-6-3-7-13(11)16-14/h8,10H,2-7,9H2,1H3,(H,18,19)
InChIKeyOXKLJSWMBLHCQB-UHFFFAOYSA-N
XLogP2.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-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 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 55125729) is 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CN(CC1CCC1)c1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is OXKLJSWMBLHCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(9-10-4-2-5-10)14-12(15(18)19)8-11-6-3-7-13(11)16-14/h8,10H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 55125729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).