2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid

C14H13FN2O3 — CID 104606826

IUPAC2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ncc(F)cn2)cc1
InChIInChI=1S/C14H13FN2O3/c1-20-11-4-2-9(3-5-11)6-12(14(18)19)13-16-7-10(15)8-17-13/h2-5,7-8,12H,6H2,1H3,(H,18,19)
InChIKeyCSVWHQYSVAGQGT-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.04
Rot. Bonds5

About 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid

2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid (PubChem CID 104606826) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid
PubChem CID104606826
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ncc(F)cn2)cc1
InChIInChI=1S/C14H13FN2O3/c1-20-11-4-2-9(3-5-11)6-12(14(18)19)13-16-7-10(15)8-17-13/h2-5,7-8,12H,6H2,1H3,(H,18,19)
InChIKeyCSVWHQYSVAGQGT-UHFFFAOYSA-N
XLogP2.04
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-2-(5-fluoropyrimidin-2-yl)propanoic acid
CID 104606821
2-(5-bromo-4-methoxypyrimidin-2-yl)-3-(4-fluorophenyl)propanoic acid
CID 107000017
2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
CID 83950889
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
3-(4-methoxyphenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573075
2-(5-bromopyrimidin-2-yl)-3-(4-methylphenyl)propanoic acid
CID 104573110
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
2-[bis[(4-methoxyphenyl)methyl]amino]sulfanyl-1-(5-fluoropyrimidin-2-yl)ethanol
CID 142359421
3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid
CID 22261867

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid (CID 104606826) is 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid is COc1ccc(CC(C(=O)O)c2ncc(F)cn2)cc1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is CSVWHQYSVAGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-11-4-2-9(3-5-11)6-12(14(18)19)13-16-7-10(15)8-17-13/h2-5,7-8,12H,6H2,1H3,(H,18,19).
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid?
2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 276.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 104606826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).