3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid

C23H23N3O6 — CID 151547669

IUPAC3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
SMILESCOc1cc(OC)nc(OC(C(=O)O)C(NC(C)=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H23N3O6/c1-15(27)26-23(16-10-6-4-7-11-16,17-12-8-5-9-13-17)20(21(28)29)32-22-24-18(30-2)14-19(25-22)31-3/h4-14,20H,1-3H3,(H,26,27)(H,28,29)
InChIKeyPZUKOYJAKXGJBV-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.41
Rot. Bonds9

About 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid

3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid (PubChem CID 151547669) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
PubChem CID151547669
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
SMILESCOc1cc(OC)nc(OC(C(=O)O)C(NC(C)=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H23N3O6/c1-15(27)26-23(16-10-6-4-7-11-16,17-12-8-5-9-13-17)20(21(28)29)32-22-24-18(30-2)14-19(25-22)31-3/h4-14,20H,1-3H3,(H,26,27)(H,28,29)
InChIKeyPZUKOYJAKXGJBV-UHFFFAOYSA-N
XLogP2.41
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-[(3,4-dimethylphenoxy)carbonylamino]-3,3-diphenylpropanoic acid
CID 10119788
3-[(4-methoxybenzoyl)amino]-2-(6-methoxy-2-methylpyrimidin-4-yl)oxy-3,3-diphenylpropanoic acid
CID 139928471
3-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenylpropanoic acid
CID 46190839
2-(4,6-dimethylpyrimidin-2-yl)oxy-3-[(4-methoxybenzoyl)amino]-3,3-diphenylpropanoic acid
CID 139928470
3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
CID 15860373
3-(2-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenylpropanoic acid
CID 46190769
3-[(4-methoxybenzoyl)amino]-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)oxy]-3,3-diphenylpropanoic acid
CID 57236555
3-methoxy-2-[4-methoxy-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]oxy-3,3-diphenylpropanoic acid
CID 142653066
3-[2-carboxy-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-1,1-diphenylethoxy]-2,2-dimethylpropanoic acid
CID 23000154
(2S)-3-(2-hydroxyethoxy)-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3-(2-methylphenyl)-3-phenylpropanoic acid
CID 142845192
(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-hydroxy-3,3-diphenylpropanoic acid
CID 25183811
(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-2-phenylacetate
CID 6920360

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid?
The IUPAC name of 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid (CID 151547669) is 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid.
What is the SMILES notation for 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid?
The canonical SMILES for 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid is COc1cc(OC)nc(OC(C(=O)O)C(NC(C)=O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid?
The InChIKey is PZUKOYJAKXGJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-15(27)26-23(16-10-6-4-7-11-16,17-12-8-5-9-13-17)20(21(28)29)32-22-24-18(30-2)14-19(25-22)31-3/h4-14,20H,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid?
3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid has a molecular weight of 437.45 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid is sourced from PubChem (CID 151547669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).