4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid

C12H17N3O4 — CID 43091764

IUPAC4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-7(2)6-9(12(18)19)13-11(17)8-4-5-10(16)15(3)14-8/h4-5,7,9H,6H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyWAWWEQGCDWVRHY-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.01
Rot. Bonds5

About 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid

4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43091764) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID43091764
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(=O)n(C)n1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-7(2)6-9(12(18)19)13-11(17)8-4-5-10(16)15(3)14-8/h4-5,7,9H,6H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyWAWWEQGCDWVRHY-UHFFFAOYSA-N
XLogP0.01
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071
(2S)-4-amino-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-4-oxobutanoic acid
CID 61142499
(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680
4-methyl-2-[(1-methylimidazole-4-carbonyl)amino]pentanoic acid
CID 107971121
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364489
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid (CID 43091764) is 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1ccc(=O)n(C)n1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is WAWWEQGCDWVRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(2)6-9(12(18)19)13-11(17)8-4-5-10(16)15(3)14-8/h4-5,7,9H,6H2,1-3H3,(H,13,17)(H,18,19).
What are the key properties of 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid?
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 267.29 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43091764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).