3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid

C16H17N3O5 — CID 75446028

IUPAC3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2ccnnc2)c(OC)c1
InChIInChI=1S/C16H17N3O5/c1-23-11-3-4-12(14(7-11)24-2)13(8-15(20)21)19-16(22)10-5-6-17-18-9-10/h3-7,9,13H,8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyNRDWIURJTHAFJJ-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.44
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid

3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid (PubChem CID 75446028) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid
PubChem CID75446028
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2ccnnc2)c(OC)c1
InChIInChI=1S/C16H17N3O5/c1-23-11-3-4-12(14(7-11)24-2)13(8-15(20)21)19-16(22)10-5-6-17-18-9-10/h3-7,9,13H,8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyNRDWIURJTHAFJJ-UHFFFAOYSA-N
XLogP1.44
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)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-(2,4-dimethoxyphenyl)-3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 120532023
3-(2,4-dimethoxyphenyl)-3-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 120532018
3-(2,4-dimethoxyphenyl)-3-(2-ethylbutanoylamino)propanoic acid
CID 120606640
(3S)-3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(2,4-dimethoxyphenyl)propanoic acid
CID 97337517
methyl (3R)-3-(2,4-dimethoxyphenyl)-3-[[4-(1,2,4-triazol-4-yl)benzoyl]amino]propanoate
CID 97253135
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
methyl 3-(2,4-dimethoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]propanoate
CID 75396955
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
3-(2,4-dimethoxyphenyl)-3-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 120532029
(2,5-dimethoxyphenyl)-pyridazin-4-ylmethanone
CID 105098338
(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105095945

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid (CID 75446028) is 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)c2ccnnc2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid?
The InChIKey is NRDWIURJTHAFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-11-3-4-12(14(7-11)24-2)13(8-15(20)21)19-16(22)10-5-6-17-18-9-10/h3-7,9,13H,8H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid?
3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid has a molecular weight of 331.33 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-3-(pyridazine-4-carbonylamino)propanoic acid is sourced from PubChem (CID 75446028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).