3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid

C12H17N3O5 — CID 43353757

IUPAC3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
SMILESCCCn1nc(C(=O)NC(C(=O)O)C(C)O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-3-6-15-9(17)5-4-8(14-15)11(18)13-10(7(2)16)12(19)20/h4-5,7,10,16H,3,6H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyOJGABZMYBKJQGZ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.78
Rot. Bonds6

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

3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43353757) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43353757
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
SMILESCCCn1nc(C(=O)NC(C(=O)O)C(C)O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-3-6-15-9(17)5-4-8(14-15)11(18)13-10(7(2)16)12(19)20/h4-5,7,10,16H,3,6H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyOJGABZMYBKJQGZ-UHFFFAOYSA-N
XLogP-0.78
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid (CID 43353757) is 3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid is CCCn1nc(C(=O)NC(C(=O)O)C(C)O)ccc1=O.
What is the InChIKey of 3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is OJGABZMYBKJQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-6-15-9(17)5-4-8(14-15)11(18)13-10(7(2)16)12(19)20/h4-5,7,10,16H,3,6H2,1-2H3,(H,13,18)(H,19,20).
What are the key properties of 3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43353757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).