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

C14H19NO4 — CID 55107666

IUPAC2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)OCCOc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C14H19NO4/c1-9(2)18-6-7-19-13-11(14(16)17)8-10-4-3-5-12(10)15-13/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyXANGTCVUUFOLAY-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds6

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

2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 55107666) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID55107666
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)OCCOc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C14H19NO4/c1-9(2)18-6-7-19-13-11(14(16)17)8-10-4-3-5-12(10)15-13/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyXANGTCVUUFOLAY-UHFFFAOYSA-N
XLogP2.07
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 55107666) is 2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CC(C)OCCOc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is XANGTCVUUFOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)18-6-7-19-13-11(14(16)17)8-10-4-3-5-12(10)15-13/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 55107666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).