4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid

C10H12N4O6 — CID 43357065

IUPAC4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H12N4O6/c11-6(15)3-5(10(19)20)12-8(17)4-14-9(18)2-1-7(16)13-14/h1-2,5H,3-4H2,(H2,11,15)(H,12,17)(H,13,16)(H,19,20)
InChIKeyHBMNYZXFKLTJJN-UHFFFAOYSA-N
MW284.23 g/mol
LogP-3.02
Rot. Bonds6

About 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid

4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid (PubChem CID 43357065) has the molecular formula C10H12N4O6 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid
PubChem CID43357065
Molecular FormulaC10H12N4O6
Molecular Weight284.23 g/mol
Exact Mass284.08
IUPAC Name4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H12N4O6/c11-6(15)3-5(10(19)20)12-8(17)4-14-9(18)2-1-7(16)13-14/h1-2,5H,3-4H2,(H2,11,15)(H,12,17)(H,13,16)(H,19,20)
InChIKeyHBMNYZXFKLTJJN-UHFFFAOYSA-N
XLogP-3.02
TPSA164.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-3.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid (CID 43357065) is 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid is NC(=O)CC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is HBMNYZXFKLTJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O6/c11-6(15)3-5(10(19)20)12-8(17)4-14-9(18)2-1-7(16)13-14/h1-2,5H,3-4H2,(H2,11,15)(H,12,17)(H,13,16)(H,19,20).
What are the key properties of 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid?
4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 284.23 g/mol, XLogP of -3.02, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 43357065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).