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

C10H14N4O5 — CID 43357140

IUPAC4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCN1N=C(C(=O)NC(CC(N)=O)C(=O)O)CCC1=O
InChIInChI=1S/C10H14N4O5/c1-14-8(16)3-2-5(13-14)9(17)12-6(10(18)19)4-7(11)15/h6H,2-4H2,1H3,(H2,11,15)(H,12,17)(H,18,19)
InChIKeyJODFGJKEDFQLJI-UHFFFAOYSA-N
MW270.24 g/mol
LogP-1.96
Rot. Bonds5

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

4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 43357140) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid
PubChem CID43357140
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid
SMILESCN1N=C(C(=O)NC(CC(N)=O)C(=O)O)CCC1=O
InChIInChI=1S/C10H14N4O5/c1-14-8(16)3-2-5(13-14)9(17)12-6(10(18)19)4-7(11)15/h6H,2-4H2,1H3,(H2,11,15)(H,12,17)(H,18,19)
InChIKeyJODFGJKEDFQLJI-UHFFFAOYSA-N
XLogP-1.96
TPSA142.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid (CID 43357140) is 4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid is CN1N=C(C(=O)NC(CC(N)=O)C(=O)O)CCC1=O.
What is the InChIKey of 4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is JODFGJKEDFQLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-14-8(16)3-2-5(13-14)9(17)12-6(10(18)19)4-7(11)15/h6H,2-4H2,1H3,(H2,11,15)(H,12,17)(H,18,19).
What are the key properties of 4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 270.24 g/mol, XLogP of -1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43357140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).