3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

C10H15N3O5 — CID 43170302

IUPAC3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C10H15N3O5/c1-5(14)8(10(17)18)11-9(16)6-3-4-7(15)13(2)12-6/h5,8,14H,3-4H2,1-2H3,(H,11,16)(H,17,18)
InChIKeyFIWGRUBMBJQSAG-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.46
Rot. Bonds4

About 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid

3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43170302) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43170302
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C10H15N3O5/c1-5(14)8(10(17)18)11-9(16)6-3-4-7(15)13(2)12-6/h5,8,14H,3-4H2,1-2H3,(H,11,16)(H,17,18)
InChIKeyFIWGRUBMBJQSAG-UHFFFAOYSA-N
XLogP-1.46
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-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-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid (CID 43170302) is 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is FIWGRUBMBJQSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-5(14)8(10(17)18)11-9(16)6-3-4-7(15)13(2)12-6/h5,8,14H,3-4H2,1-2H3,(H,11,16)(H,17,18).
What are the key properties of 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 257.25 g/mol, XLogP of -1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43170302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).