3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid

C12H17N3O6 — CID 43170273

IUPAC3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid
SMILESCOCCn1nc(C(=O)NC(C(=O)O)C(C)O)ccc1=O
InChIInChI=1S/C12H17N3O6/c1-7(16)10(12(19)20)13-11(18)8-3-4-9(17)15(14-8)5-6-21-2/h3-4,7,10,16H,5-6H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyVLZAHJHVVVWZHQ-UHFFFAOYSA-N
MW299.28 g/mol
LogP-1.55
Rot. Bonds7

About 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid

3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid (PubChem CID 43170273) has the molecular formula C12H17N3O6 and a molecular weight of 299.28 g/mol. Its IUPAC name is 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid
PubChem CID43170273
Molecular FormulaC12H17N3O6
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Name3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid
SMILESCOCCn1nc(C(=O)NC(C(=O)O)C(C)O)ccc1=O
InChIInChI=1S/C12H17N3O6/c1-7(16)10(12(19)20)13-11(18)8-3-4-9(17)15(14-8)5-6-21-2/h3-4,7,10,16H,5-6H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyVLZAHJHVVVWZHQ-UHFFFAOYSA-N
XLogP-1.55
TPSA130.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid (CID 43170273) is 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid is COCCn1nc(C(=O)NC(C(=O)O)C(C)O)ccc1=O.
What is the InChIKey of 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid?
The InChIKey is VLZAHJHVVVWZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O6/c1-7(16)10(12(19)20)13-11(18)8-3-4-9(17)15(14-8)5-6-21-2/h3-4,7,10,16H,5-6H2,1-2H3,(H,13,18)(H,19,20).
What are the key properties of 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid?
3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid has a molecular weight of 299.28 g/mol, XLogP of -1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 43170273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).