2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid

C19H21NO3 — CID 94758815

IUPAC2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1ccc(/C=C/c2ccccc2)cc1=O
InChIInChI=1S/C19H21NO3/c1-3-19(4-2,18(22)23)20-13-12-16(14-17(20)21)11-10-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,22,23)/b11-10+
InChIKeyZYXIYKMXXKGWFZ-ZHACJKMWSA-N
MW311.38 g/mol
LogP3.62
Rot. Bonds6

About 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid

2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid (PubChem CID 94758815) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid
PubChem CID94758815
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1ccc(/C=C/c2ccccc2)cc1=O
InChIInChI=1S/C19H21NO3/c1-3-19(4-2,18(22)23)20-13-12-16(14-17(20)21)11-10-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,22,23)/b11-10+
InChIKeyZYXIYKMXXKGWFZ-ZHACJKMWSA-N
XLogP3.62
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;stilbene
CID 172803728
1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 82063293
ethyl acetate;stilbene
CID 159556390
1-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 66872629
2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid
CID 82152071
2-ethyl-2-pyrrol-1-ylbutanoic acid
CID 79807107
ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate
CID 70023589
ethyl carbamate;stilbene
CID 175156091
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
CID 82063254
diethyl 2-methyl-2-[3-(2-phenylethenyl)phenyl]propanedioate
CID 71380723
3-(2-oxo-1-propyl-4-pyridinyl)prop-2-enoic acid
CID 151236325
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
CID 82063262

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid (CID 94758815) is 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid is CCC(CC)(C(=O)O)n1ccc(/C=C/c2ccccc2)cc1=O.
What is the InChIKey of 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid?
The InChIKey is ZYXIYKMXXKGWFZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-19(4-2,18(22)23)20-13-12-16(14-17(20)21)11-10-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,22,23)/b11-10+.
What are the key properties of 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid?
2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid is sourced from PubChem (CID 94758815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).