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

C14H23N3O4 — CID 107473792

IUPAC4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCN1N=C(C(=O)NCC(CC(C)(C)C)C(=O)O)CCC1=O
InChIInChI=1S/C14H23N3O4/c1-14(2,3)7-9(13(20)21)8-15-12(19)10-5-6-11(18)17(4)16-10/h9H,5-8H2,1-4H3,(H,15,19)(H,20,21)
InChIKeyGGWAJTLWIILGJZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.85
Rot. Bonds5

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

4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 107473792) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID107473792
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCN1N=C(C(=O)NCC(CC(C)(C)C)C(=O)O)CCC1=O
InChIInChI=1S/C14H23N3O4/c1-14(2,3)7-9(13(20)21)8-15-12(19)10-5-6-11(18)17(4)16-10/h9H,5-8H2,1-4H3,(H,15,19)(H,20,21)
InChIKeyGGWAJTLWIILGJZ-UHFFFAOYSA-N
XLogP0.85
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid (CID 107473792) is 4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid is CN1N=C(C(=O)NCC(CC(C)(C)C)C(=O)O)CCC1=O.
What is the InChIKey of 4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is GGWAJTLWIILGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(2,3)7-9(13(20)21)8-15-12(19)10-5-6-11(18)17(4)16-10/h9H,5-8H2,1-4H3,(H,15,19)(H,20,21).
What are the key properties of 4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid?
4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 297.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 107473792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).