2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid

C17H17NO2 — CID 15434168

IUPAC2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid
SMILESC/C=C/c1cncc(-c2ccc(C(C)C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO2/c1-3-4-13-9-16(11-18-10-13)15-7-5-14(6-8-15)12(2)17(19)20/h3-12H,1-2H3,(H,19,20)/b4-3+
InChIKeyBXAQXSDKYWJOFG-ONEGZZNKSA-N
MW267.33 g/mol
LogP3.97
Rot. Bonds4

About 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid

2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid (PubChem CID 15434168) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid
PubChem CID15434168
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid
SMILESC/C=C/c1cncc(-c2ccc(C(C)C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO2/c1-3-4-13-9-16(11-18-10-13)15-7-5-14(6-8-15)12(2)17(19)20/h3-12H,1-2H3,(H,19,20)/b4-3+
InChIKeyBXAQXSDKYWJOFG-ONEGZZNKSA-N
XLogP3.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid (CID 15434168) is 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid is C/C=C/c1cncc(-c2ccc(C(C)C(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid?
The InChIKey is BXAQXSDKYWJOFG-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-4-13-9-16(11-18-10-13)15-7-5-14(6-8-15)12(2)17(19)20/h3-12H,1-2H3,(H,19,20)/b4-3+.
What are the key properties of 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid?
2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(E)-prop-1-enyl]-3-pyridinyl]phenyl]propanoic acid is sourced from PubChem (CID 15434168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).