4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid

C11H17N3O4 — CID 43353333

IUPAC4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-6(2)5-8(11(17)18)12-10(16)7-3-4-9(15)14-13-7/h6,8H,3-5H2,1-2H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyXRIFRARLKVYRTE-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.13
Rot. Bonds5

About 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid

4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43353333) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID43353333
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-6(2)5-8(11(17)18)12-10(16)7-3-4-9(15)14-13-7/h6,8H,3-5H2,1-2H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyXRIFRARLKVYRTE-UHFFFAOYSA-N
XLogP-0.13
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid (CID 43353333) is 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is XRIFRARLKVYRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(2)5-8(11(17)18)12-10(16)7-3-4-9(15)14-13-7/h6,8H,3-5H2,1-2H3,(H,12,16)(H,14,15)(H,17,18).
What are the key properties of 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid?
4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 255.27 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43353333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).