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

C16H22N2O3 — CID 63833983

IUPAC2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1NCCOC1CCCC1)CCC2
InChIInChI=1S/C16H22N2O3/c19-16(20)13-10-11-4-3-7-14(11)18-15(13)17-8-9-21-12-5-1-2-6-12/h10,12H,1-9H2,(H,17,18)(H,19,20)
InChIKeyYKAFEMLSXJACEO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.64
Rot. Bonds6

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

2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 63833983) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID63833983
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1NCCOC1CCCC1)CCC2
InChIInChI=1S/C16H22N2O3/c19-16(20)13-10-11-4-3-7-14(11)18-15(13)17-8-9-21-12-5-1-2-6-12/h10,12H,1-9H2,(H,17,18)(H,19,20)
InChIKeyYKAFEMLSXJACEO-UHFFFAOYSA-N
XLogP2.64
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 63833983) is 2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1NCCOC1CCCC1)CCC2.
What is the InChIKey of 2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is YKAFEMLSXJACEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(20)13-10-11-4-3-7-14(11)18-15(13)17-8-9-21-12-5-1-2-6-12/h10,12H,1-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 63833983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).