3-(4-phenyl-2-pyridinyl)propanoic acid

C14H13NO2 — CID 115003999

IUPAC3-(4-phenyl-2-pyridinyl)propanoic acid
SMILESO=C(O)CCc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C14H13NO2/c16-14(17)7-6-13-10-12(8-9-15-13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17)
InChIKeyPBITWZVYQLKQBJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.77
Rot. Bonds4

About 3-(4-phenyl-2-pyridinyl)propanoic acid

3-(4-phenyl-2-pyridinyl)propanoic acid (PubChem CID 115003999) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(4-phenyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(4-phenyl-2-pyridinyl)propanoic acid
PubChem CID115003999
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-(4-phenyl-2-pyridinyl)propanoic acid
SMILESO=C(O)CCc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C14H13NO2/c16-14(17)7-6-13-10-12(8-9-15-13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17)
InChIKeyPBITWZVYQLKQBJ-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-phenyl-2-pyridinyl)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-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
[4-(3-phenylphenyl)-2-pyridinyl]methanamine
CID 177019282
2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
CID 82378249
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
3-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]-2-pyridinyl]propanoic acid
CID 90431099
3-(2-amino-4-phenylphenyl)propanoic acid
CID 67367473
4-(4-fluoro-2-pyridinyl)butanoic acid
CID 68878358
2-methyl-1-(4-phenyl-2-pyridinyl)propan-2-amine
CID 115009378
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
3-(2-methyl-5-phenyl-1H-indol-3-yl)propanoic acid
CID 98035044
4-(2-propyl-4-pyridinyl)benzenesulfonic acid
CID 21452097

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(4-phenyl-2-pyridinyl)propanoic acid (CID 115003999) is 3-(4-phenyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(4-phenyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(4-phenyl-2-pyridinyl)propanoic acid is O=C(O)CCc1cc(-c2ccccc2)ccn1.
What is the InChIKey of 3-(4-phenyl-2-pyridinyl)propanoic acid?
The InChIKey is PBITWZVYQLKQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)7-6-13-10-12(8-9-15-13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,16,17).
What are the key properties of 3-(4-phenyl-2-pyridinyl)propanoic acid?
3-(4-phenyl-2-pyridinyl)propanoic acid has a molecular weight of 227.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 115003999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).