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

C15H16N2O3 — CID 106550843

IUPAC3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2cc(C)cnn2)c1
InChIInChI=1S/C15H16N2O3/c1-10-6-14(17-16-9-10)13(15(18)19)8-11-4-3-5-12(7-11)20-2/h3-7,9,13H,8H2,1-2H3,(H,18,19)
InChIKeyGIHATOKEUCDXSB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.20
Rot. Bonds5

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

3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid (PubChem CID 106550843) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid
PubChem CID106550843
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2cc(C)cnn2)c1
InChIInChI=1S/C15H16N2O3/c1-10-6-14(17-16-9-10)13(15(18)19)8-11-4-3-5-12(7-11)20-2/h3-7,9,13H,8H2,1-2H3,(H,18,19)
InChIKeyGIHATOKEUCDXSB-UHFFFAOYSA-N
XLogP2.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-2-(6-methylpyridazin-3-yl)propanoic acid
CID 104572407
3-(3-methoxyphenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104572433
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
CID 104572423
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
3-(3-methoxyphenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572414
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid?
The IUPAC name of 3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid (CID 106550843) is 3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid is COc1cccc(CC(C(=O)O)c2cc(C)cnn2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid?
The InChIKey is GIHATOKEUCDXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-6-14(17-16-9-10)13(15(18)19)8-11-4-3-5-12(7-11)20-2/h3-7,9,13H,8H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid?
3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid is sourced from PubChem (CID 106550843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).