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

C15H21NO5 — CID 103406977

IUPAC2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCOCCOCCCOc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H21NO5/c1-19-8-9-20-6-3-7-21-14-12(15(17)18)10-11-4-2-5-13(11)16-14/h10H,2-9H2,1H3,(H,17,18)
InChIKeyZZKCCYGGYMITIL-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.70
Rot. Bonds9

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

2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 103406977) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID103406977
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCOCCOCCCOc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H21NO5/c1-19-8-9-20-6-3-7-21-14-12(15(17)18)10-11-4-2-5-13(11)16-14/h10H,2-9H2,1H3,(H,17,18)
InChIKeyZZKCCYGGYMITIL-UHFFFAOYSA-N
XLogP1.70
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 103406977) is 2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is COCCOCCCOc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is ZZKCCYGGYMITIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-8-9-20-6-3-7-21-14-12(15(17)18)10-11-4-2-5-13(11)16-14/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 103406977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).