3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid

C15H16N2O4 — CID 82445963

IUPAC3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid
SMILESCCOc1cccc(-c2cc(CCC(=O)O)c(=O)[nH]n2)c1
InChIInChI=1S/C15H16N2O4/c1-2-21-12-5-3-4-10(8-12)13-9-11(6-7-14(18)19)15(20)17-16-13/h3-5,8-9H,2,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyDTBAXTOYGKXNPV-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.85
Rot. Bonds6

About 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid

3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid (PubChem CID 82445963) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid
PubChem CID82445963
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid
SMILESCCOc1cccc(-c2cc(CCC(=O)O)c(=O)[nH]n2)c1
InChIInChI=1S/C15H16N2O4/c1-2-21-12-5-3-4-10(8-12)13-9-11(6-7-14(18)19)15(20)17-16-13/h3-5,8-9H,2,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyDTBAXTOYGKXNPV-UHFFFAOYSA-N
XLogP1.85
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]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

3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
3-[3-(4-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoyl chloride
CID 82446122
3-[2-methyl-6-(3-propoxyphenyl)-3-pyridinyl]propanoic acid
CID 82453060
5-(bromomethyl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445918
(E)-3-[6-oxo-3-(3-propoxyphenyl)-1H-pyridazin-5-yl]prop-2-enoic acid
CID 82445988
3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
CID 170838850
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
3-[3-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446055
2-[3-(3-nitrophenyl)-6-oxo-1H-pyridazin-5-yl]acetic acid
CID 82446435
2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 142424412
3-(6-oxo-3-propan-2-yl-1H-pyridazin-5-yl)propanoic acid
CID 82443108
N'-[1-(4-bromophenyl)ethenyl]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 3592539

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid?
The IUPAC name of 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid (CID 82445963) is 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid is CCOc1cccc(-c2cc(CCC(=O)O)c(=O)[nH]n2)c1.
What is the InChIKey of 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid?
The InChIKey is DTBAXTOYGKXNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-21-12-5-3-4-10(8-12)13-9-11(6-7-14(18)19)15(20)17-16-13/h3-5,8-9H,2,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid?
3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethoxyphenyl)-6-oxo-1H-pyridazin-5-yl]propanoic acid is sourced from PubChem (CID 82445963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).