2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid

C11H15N3O4 — CID 43618717

IUPAC2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(=O)[nH]n1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-6-11(2,10(17)18)12-9(16)7-4-5-8(15)14-13-7/h4-5H,3,6H2,1-2H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyCHGBQWADBHOFQB-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.14
Rot. Bonds5

About 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid

2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43618717) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID43618717
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(=O)[nH]n1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-6-11(2,10(17)18)12-9(16)7-4-5-8(15)14-13-7/h4-5H,3,6H2,1-2H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyCHGBQWADBHOFQB-UHFFFAOYSA-N
XLogP0.14
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid (CID 43618717) is 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid is CCCC(C)(NC(=O)c1ccc(=O)[nH]n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is CHGBQWADBHOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-6-11(2,10(17)18)12-9(16)7-4-5-8(15)14-13-7/h4-5H,3,6H2,1-2H3,(H,12,16)(H,14,15)(H,17,18).
What are the key properties of 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43618717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).