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

C15H21NO3 — CID 103285851

IUPAC2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCCC(C)COc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H21NO3/c1-3-5-10(2)9-19-14-12(15(17)18)8-11-6-4-7-13(11)16-14/h8,10H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyQYEQUUXZNXVAAE-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.08
Rot. Bonds6

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

2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 103285851) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID103285851
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCCC(C)COc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H21NO3/c1-3-5-10(2)9-19-14-12(15(17)18)8-11-6-4-7-13(11)16-14/h8,10H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyQYEQUUXZNXVAAE-UHFFFAOYSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63686253
2-(2-propan-2-yloxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107666
2-(2-methoxyethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107667
2-(2-propoxyethoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63685915
2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103406977
2-(3,3-dimethylbutoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 66225522
2-but-2-enoxy-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 76954609
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-(3-methoxy-3-methylbutoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 106668273
N'-hydroxy-2-(2-methylpropoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916525
2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710679
2-(2-methylsulfanylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63649585

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 103285851) is 2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CCCC(C)COc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is QYEQUUXZNXVAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-5-10(2)9-19-14-12(15(17)18)8-11-6-4-7-13(11)16-14/h8,10H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 103285851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).