2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid

C16H17NO3 — CID 173328549

IUPAC2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid
SMILESCCC(c1cccnc1)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H17NO3/c1-2-15(13-6-4-8-17-10-13)12-5-3-7-14(9-12)20-11-16(18)19/h3-10,15H,2,11H2,1H3,(H,18,19)
InChIKeyJMEXHVACWUYMAQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.09
Rot. Bonds6

About 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid

2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid (PubChem CID 173328549) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid
PubChem CID173328549
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid
SMILESCCC(c1cccnc1)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H17NO3/c1-2-15(13-6-4-8-17-10-13)12-5-3-7-14(9-12)20-11-16(18)19/h3-10,15H,2,11H2,1H3,(H,18,19)
InChIKeyJMEXHVACWUYMAQ-UHFFFAOYSA-N
XLogP3.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-phenylpropyl)phenoxy]acetic acid
CID 101304213
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
3-(1-phenoxypropyl)pyridine
CID 57251428
2-[2,6-dimethyl-4-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]phenoxy]acetic acid
CID 129398693
3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid
CID 116833952
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
2-ethylbutanoic acid;2-phenoxyacetic acid
CID 69343570
2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide
CID 77081738
[(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 95626109
4-(4-hydroxy-3-methoxyphenyl)-4-pyridin-3-ylbutan-2-one
CID 44588185
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid (CID 173328549) is 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid is CCC(c1cccnc1)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid?
The InChIKey is JMEXHVACWUYMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-15(13-6-4-8-17-10-13)12-5-3-7-14(9-12)20-11-16(18)19/h3-10,15H,2,11H2,1H3,(H,18,19).
What are the key properties of 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid?
2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid is sourced from PubChem (CID 173328549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).