6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid

C13H18N2O2 — CID 114541236

IUPAC6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
SMILESCC1(C)CCC(Nc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C13H18N2O2/c1-13(2)7-6-9(8-13)14-11-5-3-4-10(15-11)12(16)17/h3-5,9H,6-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGCPAGTZTICPLDA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.77
Rot. Bonds3

About 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid

6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid (PubChem CID 114541236) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
PubChem CID114541236
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
SMILESCC1(C)CCC(Nc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C13H18N2O2/c1-13(2)7-6-9(8-13)14-11-5-3-4-10(15-11)12(16)17/h3-5,9H,6-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGCPAGTZTICPLDA-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid (CID 114541236) is 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid is CC1(C)CCC(Nc2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid?
The InChIKey is GCPAGTZTICPLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2)7-6-9(8-13)14-11-5-3-4-10(15-11)12(16)17/h3-5,9H,6-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid?
6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114541236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).