2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid

C10H13N3O3 — CID 116786342

IUPAC2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid
SMILESCC(C)(CC(=O)Nc1cccnn1)C(=O)O
InChIInChI=1S/C10H13N3O3/c1-10(2,9(15)16)6-8(14)12-7-4-3-5-11-13-7/h3-5H,6H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyACDPVXWZONUYTH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.92
Rot. Bonds4

About 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid

2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid (PubChem CID 116786342) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid
PubChem CID116786342
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid
SMILESCC(C)(CC(=O)Nc1cccnn1)C(=O)O
InChIInChI=1S/C10H13N3O3/c1-10(2,9(15)16)6-8(14)12-7-4-3-5-11-13-7/h3-5H,6H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyACDPVXWZONUYTH-UHFFFAOYSA-N
XLogP0.92
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic 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

2-anilino-N-pyridazin-3-ylacetamide
CID 116786848
4-[(2-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302439
pyridazin-3-ylurea
CID 13080987
3-amino-N-pyridazin-3-ylbutanamide
CID 126973262
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid
CID 116786341
4-(2-ethylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297764
5-chloro-N-pyridazin-3-ylpentanamide
CID 116786504
2-tert-butyl-1-pyridazin-3-ylguanidine
CID 11830294
4-[(4-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 83165894
2,2-dimethyl-4-oxo-4-[3-(triazol-1-yl)anilino]butanoic acid
CID 119259712
N-pyridazin-3-ylprop-2-enamide
CID 116786507

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid (CID 116786342) is 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid is CC(C)(CC(=O)Nc1cccnn1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid?
The InChIKey is ACDPVXWZONUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-10(2,9(15)16)6-8(14)12-7-4-3-5-11-13-7/h3-5H,6H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid?
2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-4-(pyridazin-3-ylamino)butanoic acid is sourced from PubChem (CID 116786342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).