5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid

C17H19NO3 — CID 139922006

IUPAC5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C17H19NO3/c19-17(20)9-2-1-5-14-6-3-8-16(11-14)21-13-15-7-4-10-18-12-15/h3-4,6-8,10-12H,1-2,5,9,13H2,(H,19,20)
InChIKeyFENMCHQEIIBYIN-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.46
Rot. Bonds8

About 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid

5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid (PubChem CID 139922006) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
PubChem CID139922006
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C17H19NO3/c19-17(20)9-2-1-5-14-6-3-8-16(11-14)21-13-15-7-4-10-18-12-15/h3-4,6-8,10-12H,1-2,5,9,13H2,(H,19,20)
InChIKeyFENMCHQEIIBYIN-UHFFFAOYSA-N
XLogP3.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.46
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

5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
CID 139921962
5-[3-(pyridin-2-ylmethoxy)phenyl]pentanoic acid
CID 139922111
6-[3-(isoquinolin-1-ylmethoxy)phenyl]hexanoic acid
CID 139921722
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
[3-(pyridin-3-ylmethoxy)phenyl] benzoate
CID 11460927
5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid
CID 139921995
4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid
CID 18462017
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
CID 170863930
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542

Frequently Asked Questions

What is the IUPAC name of 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid?
The IUPAC name of 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid (CID 139922006) is 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid?
The canonical SMILES for 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid is O=C(O)CCCCc1cccc(OCc2cccnc2)c1.
What is the InChIKey of 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid?
The InChIKey is FENMCHQEIIBYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(20)9-2-1-5-14-6-3-8-16(11-14)21-13-15-7-4-10-18-12-15/h3-4,6-8,10-12H,1-2,5,9,13H2,(H,19,20).
What are the key properties of 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid?
5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 139922006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).