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

C14H19NO4 — CID 63686253

IUPAC2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCCOCCOc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C14H19NO4/c1-2-6-18-7-8-19-13-11(14(16)17)9-10-4-3-5-12(10)15-13/h9H,2-8H2,1H3,(H,16,17)
InChIKeyPUJWLEWFZGZRFL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds7

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

2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 63686253) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID63686253
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCCOCCOc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C14H19NO4/c1-2-6-18-7-8-19-13-11(14(16)17)9-10-4-3-5-12(10)15-13/h9H,2-8H2,1H3,(H,16,17)
InChIKeyPUJWLEWFZGZRFL-UHFFFAOYSA-N
XLogP2.07
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
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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Related Compounds

2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63685915
2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107667
2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103406977
2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107666
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63686758
2-(3,3-dimethylbutoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 66225522
2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103285851
2-(3-methoxy-3-methylbutoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 106668273
2-but-2-enoxy-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 76954609
N'-hydroxy-2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76916958
2-(4-iodophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702932
2-(4-bromophenoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62702572

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 63686253) is 2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CCCOCCOc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is PUJWLEWFZGZRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-6-18-7-8-19-13-11(14(16)17)9-10-4-3-5-12(10)15-13/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 63686253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).