2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid

C9H11N3O4 — CID 43239364

IUPAC2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-5(9(15)16)10-8(14)6-3-4-7(13)12(2)11-6/h3-5H,1-2H3,(H,10,14)(H,15,16)
InChIKeyXMDAXVUJSQKSFS-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.02
Rot. Bonds3

About 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid

2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 43239364) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
PubChem CID43239364
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-5(9(15)16)10-8(14)6-3-4-7(13)12(2)11-6/h3-5H,1-2H3,(H,10,14)(H,15,16)
InChIKeyXMDAXVUJSQKSFS-UHFFFAOYSA-N
XLogP-1.02
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid (CID 43239364) is 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1ccc(=O)n(C)n1)C(=O)O.
What is the InChIKey of 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is XMDAXVUJSQKSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-5(9(15)16)10-8(14)6-3-4-7(13)12(2)11-6/h3-5H,1-2H3,(H,10,14)(H,15,16).
What are the key properties of 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid?
2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43239364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).