3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid

C15H15NO2 — CID 19840714

IUPAC3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(Cc2ccccn2)cc1
InChIInChI=1S/C15H15NO2/c17-15(18)9-8-12-4-6-13(7-5-12)11-14-3-1-2-10-16-14/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyACAFTDKMYDANKM-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.69
Rot. Bonds5

About 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid

3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid (PubChem CID 19840714) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid
PubChem CID19840714
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(Cc2ccccn2)cc1
InChIInChI=1S/C15H15NO2/c17-15(18)9-8-12-4-6-13(7-5-12)11-14-3-1-2-10-16-14/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyACAFTDKMYDANKM-UHFFFAOYSA-N
XLogP2.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylpyridine;(Z)-but-2-enedioic acid
CID 5356234
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
lanthanum;3-phenylpropanoic acid
CID 174887955
[4-(pyridin-2-ylmethyl)phenyl] carbamate
CID 174850668
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
(E)-2-methyl-3-[4-(pyridin-2-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride
CID 66781094
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
CID 11659982
CID 131857449
CID 131857449
butanoic acid;pyridin-2-ylmethanol
CID 21117383
3-[1-(pyridin-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460904

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid (CID 19840714) is 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid is O=C(O)CCc1ccc(Cc2ccccn2)cc1.
What is the InChIKey of 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid?
The InChIKey is ACAFTDKMYDANKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)9-8-12-4-6-13(7-5-12)11-14-3-1-2-10-16-14/h1-7,10H,8-9,11H2,(H,17,18).
What are the key properties of 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid?
3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid is sourced from PubChem (CID 19840714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).