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

C12H15NO4 — CID 55107667

IUPAC2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCOCCOc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C12H15NO4/c1-16-5-6-17-11-9(12(14)15)7-8-3-2-4-10(8)13-11/h7H,2-6H2,1H3,(H,14,15)
InChIKeyXJMAGRYPSADYQH-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.29
Rot. Bonds5

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

2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 55107667) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID55107667
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCOCCOc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C12H15NO4/c1-16-5-6-17-11-9(12(14)15)7-8-3-2-4-10(8)13-11/h7H,2-6H2,1H3,(H,14,15)
InChIKeyXJMAGRYPSADYQH-UHFFFAOYSA-N
XLogP1.29
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
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-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 55107667) is 2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is COCCOc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is XJMAGRYPSADYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-5-6-17-11-9(12(14)15)7-8-3-2-4-10(8)13-11/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 55107667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).