2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid

C9H11N3O5 — CID 107832681

IUPAC2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H11N3O5/c13-6(9(16)17)3-4-10-8(15)5-1-2-7(14)12-11-5/h1-2,6,13H,3-4H2,(H,10,15)(H,12,14)(H,16,17)
InChIKeyGSIOGKKHXFHFCX-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.66
Rot. Bonds5

About 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid

2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 107832681) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID107832681
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H11N3O5/c13-6(9(16)17)3-4-10-8(15)5-1-2-7(14)12-11-5/h1-2,6,13H,3-4H2,(H,10,15)(H,12,14)(H,16,17)
InChIKeyGSIOGKKHXFHFCX-UHFFFAOYSA-N
XLogP-1.66
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
phenyl N-[2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]carbamate
CID 108573584
2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 107831797
N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 102685093
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30541088

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 107832681) is 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid is O=C(NCCC(O)C(=O)O)c1ccc(=O)[nH]n1.
What is the InChIKey of 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is GSIOGKKHXFHFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-6(9(16)17)3-4-10-8(15)5-1-2-7(14)12-11-5/h1-2,6,13H,3-4H2,(H,10,15)(H,12,14)(H,16,17).
What are the key properties of 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107832681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).