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

C9H13N3O4 — CID 43172713

IUPAC3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H13N3O4/c1-5(4-8(14)15)10-9(16)6-2-3-7(13)12-11-6/h5H,2-4H2,1H3,(H,10,16)(H,12,13)(H,14,15)
InChIKeyINAUHHAJFRHWET-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.77
Rot. Bonds4

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

3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43172713) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43172713
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H13N3O4/c1-5(4-8(14)15)10-9(16)6-2-3-7(13)12-11-6/h5H,2-4H2,1H3,(H,10,16)(H,12,13)(H,14,15)
InChIKeyINAUHHAJFRHWET-UHFFFAOYSA-N
XLogP-0.77
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 43172713) is 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is INAUHHAJFRHWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5(4-8(14)15)10-9(16)6-2-3-7(13)12-11-6/h5H,2-4H2,1H3,(H,10,16)(H,12,13)(H,14,15).
What are the key properties of 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43172713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).