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

C10H15N3O4 — CID 43354065

IUPAC3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-5(2)8(10(16)17)11-9(15)6-3-4-7(14)13-12-6/h5,8H,3-4H2,1-2H3,(H,11,15)(H,13,14)(H,16,17)
InChIKeyXBSBUYLSOFAXMC-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.52
Rot. Bonds4

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

3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43354065) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43354065
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)C(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-5(2)8(10(16)17)11-9(15)6-3-4-7(14)13-12-6/h5,8H,3-4H2,1-2H3,(H,11,15)(H,13,14)(H,16,17)
InChIKeyXBSBUYLSOFAXMC-UHFFFAOYSA-N
XLogP-0.52
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 43171173
3-Methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
CID 43171219
3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 43171680
5-Amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43171957
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 43172713
4-Methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
CID 43353307
4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid
CID 43353333
4-methylsulfanyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 43353492
3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 43353755
3-Methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 43354039
2-[(1-Methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
CID 43354487
2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 43354512

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 43354065) is 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is XBSBUYLSOFAXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-5(2)8(10(16)17)11-9(15)6-3-4-7(14)13-12-6/h5,8H,3-4H2,1-2H3,(H,11,15)(H,13,14)(H,16,17).
What are the key properties of 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43354065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).