3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid

C14H14N2O4 — CID 115055322

IUPAC3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid
SMILESCc1[nH]c(=O)ncc1Oc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H14N2O4/c1-9-12(8-15-14(19)16-9)20-11-4-2-3-10(7-11)5-6-13(17)18/h2-4,7-8H,5-6H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyAMCCCTJDBWSZKE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.89
Rot. Bonds5

About 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid

3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid (PubChem CID 115055322) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid
PubChem CID115055322
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid
SMILESCc1[nH]c(=O)ncc1Oc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H14N2O4/c1-9-12(8-15-14(19)16-9)20-11-4-2-3-10(7-11)5-6-13(17)18/h2-4,7-8H,5-6H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyAMCCCTJDBWSZKE-UHFFFAOYSA-N
XLogP1.89
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]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

ethane;3-[3-[(5-methyl-6-sulfanylidene-1H-pyrazin-2-yl)methoxy]phenyl]propanoic acid
CID 144996612
3-[2-[(3-methoxyphenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 95466644
3-(3-methylsulfonyloxyphenyl)propanoic acid
CID 51072050
3-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20993456
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714
3-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]propanoic acid
CID 68675820
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
3-[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]propanoic acid
CID 20991725
2-oxo-4-(3-phenoxyphenyl)butanoic acid
CID 82185753
3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid
CID 22686429
3-[3-fluoro-4-[[3-(3-propan-2-ylphenoxy)phenyl]methoxy]phenyl]propanoic acid
CID 23136440
cyclopropane;3-(3-iodosulfanyloxyphenyl)propanoic acid
CID 143789205

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid (CID 115055322) is 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid is Cc1[nH]c(=O)ncc1Oc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid?
The InChIKey is AMCCCTJDBWSZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-12(8-15-14(19)16-9)20-11-4-2-3-10(7-11)5-6-13(17)18/h2-4,7-8H,5-6H2,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid?
3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(6-methyl-2-oxo-1H-pyrimidin-5-yl)oxy]phenyl]propanoic acid is sourced from PubChem (CID 115055322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).