5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid

C16H23NO3 — CID 174523049

IUPAC5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(OCC2CCCC2)nc1
InChIInChI=1S/C16H23NO3/c18-16(19)8-4-3-5-13-9-10-15(17-11-13)20-12-14-6-1-2-7-14/h9-11,14H,1-8,12H2,(H,18,19)
InChIKeyBCFRILMCBZRLJT-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.45
Rot. Bonds8

About 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid

5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid (PubChem CID 174523049) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid
PubChem CID174523049
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(OCC2CCCC2)nc1
InChIInChI=1S/C16H23NO3/c18-16(19)8-4-3-5-13-9-10-15(17-11-13)20-12-14-6-1-2-7-14/h9-11,14H,1-8,12H2,(H,18,19)
InChIKeyBCFRILMCBZRLJT-UHFFFAOYSA-N
XLogP3.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 66324302
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
[6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate
CID 175749416
5-[4-(3-cyclohexylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 82260212
4-(6-iodo-3-pyridinyl)butanoic acid
CID 134406109
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 110917758
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430830
N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide
CID 59104007
1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
CID 86904655
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568

Frequently Asked Questions

What is the IUPAC name of 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid?
The IUPAC name of 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid (CID 174523049) is 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid.
What is the SMILES notation for 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid?
The canonical SMILES for 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid is O=C(O)CCCCc1ccc(OCC2CCCC2)nc1.
What is the InChIKey of 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid?
The InChIKey is BCFRILMCBZRLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-16(19)8-4-3-5-13-9-10-15(17-11-13)20-12-14-6-1-2-7-14/h9-11,14H,1-8,12H2,(H,18,19).
What are the key properties of 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid?
5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclopentylmethoxy)-3-pyridinyl]pentanoic acid is sourced from PubChem (CID 174523049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).