2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid

C17H17NO4 — CID 82063262

IUPAC2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
SMILESCOc1cccc(/C=C/c2ccn(C(C)C(=O)O)c(=O)c2)c1
InChIInChI=1S/C17H17NO4/c1-12(17(20)21)18-9-8-14(11-16(18)19)7-6-13-4-3-5-15(10-13)22-2/h3-12H,1-2H3,(H,20,21)/b7-6+
InChIKeyIEMLMMCITRWKHS-VOTSOKGWSA-N
MW299.33 g/mol
LogP2.67
Rot. Bonds5

About 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid

2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 82063262) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
PubChem CID82063262
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
SMILESCOc1cccc(/C=C/c2ccn(C(C)C(=O)O)c(=O)c2)c1
InChIInChI=1S/C17H17NO4/c1-12(17(20)21)18-9-8-14(11-16(18)19)7-6-13-4-3-5-15(10-13)22-2/h3-12H,1-2H3,(H,20,21)/b7-6+
InChIKeyIEMLMMCITRWKHS-VOTSOKGWSA-N
XLogP2.67
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-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-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
CID 82063254
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
CID 82063259
(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid
CID 105460058
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43091753
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 79252669
(1E,6E)-5-hydroxy-1,7-bis(3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 136703950
(2S,4R)-2-amino-4-[(E)-3-(3-methoxyphenyl)prop-2-enyl]pentanedioic acid
CID 10780042
[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
CID 67721243

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid (CID 82063262) is 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid is COc1cccc(/C=C/c2ccn(C(C)C(=O)O)c(=O)c2)c1.
What is the InChIKey of 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is IEMLMMCITRWKHS-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(17(20)21)18-9-8-14(11-16(18)19)7-6-13-4-3-5-15(10-13)22-2/h3-12H,1-2H3,(H,20,21)/b7-6+.
What are the key properties of 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid?
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 82063262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).