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

C10H13N3O5 — CID 43469221

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-6(10(17)18)11-8(15)5-13-9(16)4-3-7(14)12-13/h3-4,6H,2,5H2,1H3,(H,11,15)(H,12,14)(H,17,18)
InChIKeyGXVRDQDHAHTHNJ-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.48
Rot. Bonds5

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

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid (PubChem CID 43469221) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
PubChem CID43469221
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-6(10(17)18)11-8(15)5-13-9(16)4-3-7(14)12-13/h3-4,6H,2,5H2,1H3,(H,11,15)(H,12,14)(H,17,18)
InChIKeyGXVRDQDHAHTHNJ-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid (CID 43469221) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid is CCC(NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid?
The InChIKey is GXVRDQDHAHTHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-6(10(17)18)11-8(15)5-13-9(16)4-3-7(14)12-13/h3-4,6H,2,5H2,1H3,(H,11,15)(H,12,14)(H,17,18).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid?
2-[[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 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43469221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).