2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid

C12H17N3O4 — CID 62819899

IUPAC2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)N(C)C(C)(C)C(=O)O)c1C
InChIInChI=1S/C12H17N3O4/c1-6-7(2)13-14-9(16)8(6)10(17)15(5)12(3,4)11(18)19/h1-5H3,(H,14,16)(H,18,19)
InChIKeyKGOVYESDCFQLFG-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.32
Rot. Bonds3

About 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62819899) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID62819899
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)N(C)C(C)(C)C(=O)O)c1C
InChIInChI=1S/C12H17N3O4/c1-6-7(2)13-14-9(16)8(6)10(17)15(5)12(3,4)11(18)19/h1-5H3,(H,14,16)(H,18,19)
InChIKeyKGOVYESDCFQLFG-UHFFFAOYSA-N
XLogP0.32
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265269
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791893
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid
CID 43170572
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 43170863
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylbutanoic acid
CID 43354093
2-[(2,5,6-Trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 43354459
3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 43354890
2-[(2,5,6-Trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
2-[Methyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 43356279
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]acetic acid
CID 43356367
4-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]butanoic acid
CID 43360156
2-[[2-[(2,5,6-Trimethyl-3-oxopyridazine-4-carbonyl)amino]acetyl]amino]acetic acid
CID 43465343

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid (CID 62819899) is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid is Cc1n[nH]c(=O)c(C(=O)N(C)C(C)(C)C(=O)O)c1C.
What is the InChIKey of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is KGOVYESDCFQLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-6-7(2)13-14-9(16)8(6)10(17)15(5)12(3,4)11(18)19/h1-5H3,(H,14,16)(H,18,19).
What are the key properties of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62819899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).