2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid

C13H19N3O3 — CID 114393832

IUPAC2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
SMILESCC(C)(Cn1ncc(N2CCCC2)cc1=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-13(2,12(18)19)9-16-11(17)7-10(8-14-16)15-5-3-4-6-15/h7-8H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyMYLOZAQONVBZMM-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.95
Rot. Bonds4

About 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid

2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid (PubChem CID 114393832) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
PubChem CID114393832
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
SMILESCC(C)(Cn1ncc(N2CCCC2)cc1=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-13(2,12(18)19)9-16-11(17)7-10(8-14-16)15-5-3-4-6-15/h7-8H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyMYLOZAQONVBZMM-UHFFFAOYSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-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

3,3,3-Trifluoro-2-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]propanoic acid
CID 104920869
2-[[4-(Dimethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 104920874
2-[[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 104920892
2-[[4-(Diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 104920895
3,3,3-Trifluoro-2-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]propanoic acid
CID 104920899
methyl 3-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]propanoate
CID 30852551
3-Methyl-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)but-2-enoic acid
CID 104920868
4-(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)butanoic acid
CID 113579303
2-[(6-Oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]prop-2-enoic acid
CID 113579309
2-Methyl-4-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)but-2-enoic acid
CID 113579310
2-Methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid
CID 113579311
Methyl 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylpropanoate
CID 113579320

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid (CID 114393832) is 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid is CC(C)(Cn1ncc(N2CCCC2)cc1=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid?
The InChIKey is MYLOZAQONVBZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,12(18)19)9-16-11(17)7-10(8-14-16)15-5-3-4-6-15/h7-8H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid?
2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoic acid is sourced from PubChem (CID 114393832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).