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

C7H9N3O3 — CID 65444018

IUPAC2-amino-3-(6-oxopyridazin-1-yl)propanoic acid
SMILESNC(Cn1ncccc1=O)C(=O)O
InChIInChI=1S/C7H9N3O3/c8-5(7(12)13)4-10-6(11)2-1-3-9-10/h1-3,5H,4,8H2,(H,12,13)
InChIKeyLKTACGMMWJDREA-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.34
Rot. Bonds3

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

2-amino-3-(6-oxopyridazin-1-yl)propanoic acid (PubChem CID 65444018) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-3-(6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(6-oxopyridazin-1-yl)propanoic acid
PubChem CID65444018
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-amino-3-(6-oxopyridazin-1-yl)propanoic acid
SMILESNC(Cn1ncccc1=O)C(=O)O
InChIInChI=1S/C7H9N3O3/c8-5(7(12)13)4-10-6(11)2-1-3-9-10/h1-3,5H,4,8H2,(H,12,13)
InChIKeyLKTACGMMWJDREA-UHFFFAOYSA-N
XLogP-1.34
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(6-oxopyridazin-1-yl)propanoic acid (CID 65444018) is 2-amino-3-(6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(6-oxopyridazin-1-yl)propanoic acid is NC(Cn1ncccc1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is LKTACGMMWJDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-5(7(12)13)4-10-6(11)2-1-3-9-10/h1-3,5H,4,8H2,(H,12,13).
What are the key properties of 2-amino-3-(6-oxopyridazin-1-yl)propanoic acid?
2-amino-3-(6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 65444018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).