5-(pyridin-2-ylmethoxy)pentanoic acid

C11H15NO3 — CID 83213720

IUPAC5-(pyridin-2-ylmethoxy)pentanoic acid
SMILESO=C(O)CCCCOCc1ccccn1
InChIInChI=1S/C11H15NO3/c13-11(14)6-2-4-8-15-9-10-5-1-3-7-12-10/h1,3,5,7H,2,4,6,8-9H2,(H,13,14)
InChIKeyLFMSCFYKIOHONQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.85
Rot. Bonds7

About 5-(pyridin-2-ylmethoxy)pentanoic acid

5-(pyridin-2-ylmethoxy)pentanoic acid (PubChem CID 83213720) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethoxy)pentanoic acid.

Molecular Properties

Compound Name5-(pyridin-2-ylmethoxy)pentanoic acid
PubChem CID83213720
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name5-(pyridin-2-ylmethoxy)pentanoic acid
SMILESO=C(O)CCCCOCc1ccccn1
InChIInChI=1S/C11H15NO3/c13-11(14)6-2-4-8-15-9-10-5-1-3-7-12-10/h1,3,5,7H,2,4,6,8-9H2,(H,13,14)
InChIKeyLFMSCFYKIOHONQ-UHFFFAOYSA-N
XLogP1.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.85
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-(pyridin-2-ylmethoxy)phenyl]pentanoic acid
CID 139922111
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate
CID 14833129
6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942
7-(2-pyridin-2-ylethoxy)heptan-2-one
CID 23045048
5-methyl-6-pyridin-2-ylhexanoic acid
CID 58070898
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride
CID 70533731
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
9-phenoxynonanoic acid
CID 15887638
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethoxy)pentanoic acid?
The IUPAC name of 5-(pyridin-2-ylmethoxy)pentanoic acid (CID 83213720) is 5-(pyridin-2-ylmethoxy)pentanoic acid.
What is the SMILES notation for 5-(pyridin-2-ylmethoxy)pentanoic acid?
The canonical SMILES for 5-(pyridin-2-ylmethoxy)pentanoic acid is O=C(O)CCCCOCc1ccccn1.
What is the InChIKey of 5-(pyridin-2-ylmethoxy)pentanoic acid?
The InChIKey is LFMSCFYKIOHONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-11(14)6-2-4-8-15-9-10-5-1-3-7-12-10/h1,3,5,7H,2,4,6,8-9H2,(H,13,14).
What are the key properties of 5-(pyridin-2-ylmethoxy)pentanoic acid?
5-(pyridin-2-ylmethoxy)pentanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylmethoxy)pentanoic acid is sourced from PubChem (CID 83213720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).