2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid

C14H13ClN2O3 — CID 104572864

IUPAC2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1ncc(Cl)cn1
InChIInChI=1S/C14H13ClN2O3/c1-20-12-5-3-2-4-9(12)6-11(14(18)19)13-16-7-10(15)8-17-13/h2-5,7-8,11H,6H2,1H3,(H,18,19)
InChIKeyHRSWFAYXFXUTPL-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.55
Rot. Bonds5

About 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid

2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid (PubChem CID 104572864) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
PubChem CID104572864
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1ncc(Cl)cn1
InChIInChI=1S/C14H13ClN2O3/c1-20-12-5-3-2-4-9(12)6-11(14(18)19)13-16-7-10(15)8-17-13/h2-5,7-8,11H,6H2,1H3,(H,18,19)
InChIKeyHRSWFAYXFXUTPL-UHFFFAOYSA-N
XLogP2.55
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
CID 104572872
2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572875
3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572862
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104572948
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
CID 112720015
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240973
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid
CID 106505344
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid (CID 104572864) is 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(C(=O)O)c1ncc(Cl)cn1.
What is the InChIKey of 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is HRSWFAYXFXUTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-20-12-5-3-2-4-9(12)6-11(14(18)19)13-16-7-10(15)8-17-13/h2-5,7-8,11H,6H2,1H3,(H,18,19).
What are the key properties of 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid?
2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 292.72 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 104572864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).