3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid

C9H13N3O5 — CID 43353755

IUPAC3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O5/c1-4(13)7(9(16)17)10-8(15)5-2-3-6(14)12-11-5/h4,7,13H,2-3H2,1H3,(H,10,15)(H,12,14)(H,16,17)
InChIKeySGWZNKKIDTYEOO-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.80
Rot. Bonds4

About 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid

3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43353755) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43353755
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O5/c1-4(13)7(9(16)17)10-8(15)5-2-3-6(14)12-11-5/h4,7,13H,2-3H2,1H3,(H,10,15)(H,12,14)(H,16,17)
InChIKeySGWZNKKIDTYEOO-UHFFFAOYSA-N
XLogP-1.80
TPSA128.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 43353755) is 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is SGWZNKKIDTYEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-4(13)7(9(16)17)10-8(15)5-2-3-6(14)12-11-5/h4,7,13H,2-3H2,1H3,(H,10,15)(H,12,14)(H,16,17).
What are the key properties of 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 243.22 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43353755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).