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

C10H13N3O5 — CID 43172649

IUPAC3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-6(4-10(17)18)11-8(15)5-13-9(16)3-2-7(14)12-13/h2-3,6H,4-5H2,1H3,(H,11,15)(H,12,14)(H,17,18)
InChIKeyZHUMZNJJNWPNBZ-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.48
Rot. Bonds5

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

3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid (PubChem CID 43172649) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
PubChem CID43172649
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-6(4-10(17)18)11-8(15)5-13-9(16)3-2-7(14)12-13/h2-3,6H,4-5H2,1H3,(H,11,15)(H,12,14)(H,17,18)
InChIKeyZHUMZNJJNWPNBZ-UHFFFAOYSA-N
XLogP-1.48
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[(5-Oxo-1,2-dihydropyrazole-3-carbonyl)amino]butanoic acid
CID 140557770
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43170189
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-methylbutanoic acid
CID 43170362
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170623
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43170711
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 43170800
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 43353579
4-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-4-oxobutanoic acid
CID 43357065
4-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]butanoic acid
CID 43359933
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467397
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
CID 43469221
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]pentanoic acid
CID 43630713

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid (CID 43172649) is 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid?
The InChIKey is ZHUMZNJJNWPNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-6(4-10(17)18)11-8(15)5-13-9(16)3-2-7(14)12-13/h2-3,6H,4-5H2,1H3,(H,11,15)(H,12,14)(H,17,18).
What are the key properties of 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid?
3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43172649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).