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

C8H11N3O5 — CID 43171680

IUPAC3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESO=C1CCC(C(=O)NC(CO)C(=O)O)=NN1
InChIInChI=1S/C8H11N3O5/c12-3-5(8(15)16)9-7(14)4-1-2-6(13)11-10-4/h5,12H,1-3H2,(H,9,14)(H,11,13)(H,15,16)
InChIKeyACYLUUCMUKLGPW-UHFFFAOYSA-N
MW229.19 g/mol
LogP-2.19
Rot. Bonds4

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

3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 43171680) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
PubChem CID43171680
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESO=C1CCC(C(=O)NC(CO)C(=O)O)=NN1
InChIInChI=1S/C8H11N3O5/c12-3-5(8(15)16)9-7(14)4-1-2-6(13)11-10-4/h5,12H,1-3H2,(H,9,14)(H,11,13)(H,15,16)
InChIKeyACYLUUCMUKLGPW-UHFFFAOYSA-N
XLogP-2.19
TPSA128.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (CID 43171680) is 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is O=C1CCC(C(=O)NC(CO)C(=O)O)=NN1.
What is the InChIKey of 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is ACYLUUCMUKLGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c12-3-5(8(15)16)9-7(14)4-1-2-6(13)11-10-4/h5,12H,1-3H2,(H,9,14)(H,11,13)(H,15,16).
What are the key properties of 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 229.19 g/mol, XLogP of -2.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43171680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).