3-(3-pyridin-3-ylpropoxy)propanoic acid

C11H15NO3 — CID 21282788

IUPAC3-(3-pyridin-3-ylpropoxy)propanoic acid
SMILESO=C(O)CCOCCCc1cccnc1
InChIInChI=1S/C11H15NO3/c13-11(14)5-8-15-7-2-4-10-3-1-6-12-9-10/h1,3,6,9H,2,4-5,7-8H2,(H,13,14)
InChIKeyWFKBLPBQXGHVGI-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.51
Rot. Bonds7

About 3-(3-pyridin-3-ylpropoxy)propanoic acid

3-(3-pyridin-3-ylpropoxy)propanoic acid (PubChem CID 21282788) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-pyridin-3-ylpropoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-pyridin-3-ylpropoxy)propanoic acid
PubChem CID21282788
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(3-pyridin-3-ylpropoxy)propanoic acid
SMILESO=C(O)CCOCCCc1cccnc1
InChIInChI=1S/C11H15NO3/c13-11(14)5-8-15-7-2-4-10-3-1-6-12-9-10/h1,3,6,9H,2,4-5,7-8H2,(H,13,14)
InChIKeyWFKBLPBQXGHVGI-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
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

3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
CID 58450299
CID 58450299
3-pyridin-3-ylpropyl N-benzylcarbamate
CID 10333345
3-pyridin-3-ylpropyl 3-cyclopentylpropanoate
CID 78842165
3-pyridin-3-ylpropyl 2-(2-methoxyethoxy)acetate
CID 78831559
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
3-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]propanoic acid
CID 118973522
5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
CID 139922006
3-pyridin-3-ylpropyl 2-cyclohexylacetate
CID 78842305

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-ylpropoxy)propanoic acid?
The IUPAC name of 3-(3-pyridin-3-ylpropoxy)propanoic acid (CID 21282788) is 3-(3-pyridin-3-ylpropoxy)propanoic acid.
What is the SMILES notation for 3-(3-pyridin-3-ylpropoxy)propanoic acid?
The canonical SMILES for 3-(3-pyridin-3-ylpropoxy)propanoic acid is O=C(O)CCOCCCc1cccnc1.
What is the InChIKey of 3-(3-pyridin-3-ylpropoxy)propanoic acid?
The InChIKey is WFKBLPBQXGHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-11(14)5-8-15-7-2-4-10-3-1-6-12-9-10/h1,3,6,9H,2,4-5,7-8H2,(H,13,14).
What are the key properties of 3-(3-pyridin-3-ylpropoxy)propanoic acid?
3-(3-pyridin-3-ylpropoxy)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-ylpropoxy)propanoic acid is sourced from PubChem (CID 21282788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).