2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid

C9H11N3O4 — CID 64581900

IUPAC2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid
SMILESCC(=O)NC(Cn1ncccc1=O)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(13)11-7(9(15)16)5-12-8(14)3-2-4-10-12/h2-4,7H,5H2,1H3,(H,11,13)(H,15,16)
InChIKeyVCAPQIDFZOMADR-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.17
Rot. Bonds4

About 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid

2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid (PubChem CID 64581900) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid
PubChem CID64581900
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid
SMILESCC(=O)NC(Cn1ncccc1=O)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(13)11-7(9(15)16)5-12-8(14)3-2-4-10-12/h2-4,7H,5H2,1H3,(H,11,13)(H,15,16)
InChIKeyVCAPQIDFZOMADR-UHFFFAOYSA-N
XLogP-1.17
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid (CID 64581900) is 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid is CC(=O)NC(Cn1ncccc1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is VCAPQIDFZOMADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-6(13)11-7(9(15)16)5-12-8(14)3-2-4-10-12/h2-4,7H,5H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid?
2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 225.20 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 64581900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).