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

C9H10N2O2 — CID 54595024

IUPAC2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESNc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C9H10N2O2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H2,10,11)(H,12,13)
InChIKeyPMRJJSHCLCZUSH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.85
Rot. Bonds1

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

2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 54595024) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID54595024
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESNc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C9H10N2O2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H2,10,11)(H,12,13)
InChIKeyPMRJJSHCLCZUSH-UHFFFAOYSA-N
XLogP0.85
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 54595024) is 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is Nc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is PMRJJSHCLCZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H2,10,11)(H,12,13).
What are the key properties of 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 54595024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).