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

C8H11N3O4 — CID 43355380

IUPAC2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C8H11N3O4/c1-4(8(14)15)9-7(13)5-2-3-6(12)11-10-5/h4H,2-3H2,1H3,(H,9,13)(H,11,12)(H,14,15)
InChIKeyNXARIVXISPFDQT-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.16
Rot. Bonds3

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

2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 43355380) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
PubChem CID43355380
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C8H11N3O4/c1-4(8(14)15)9-7(13)5-2-3-6(12)11-10-5/h4H,2-3H2,1H3,(H,9,13)(H,11,12)(H,14,15)
InChIKeyNXARIVXISPFDQT-UHFFFAOYSA-N
XLogP-1.16
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (CID 43355380) is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is CC(NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is NXARIVXISPFDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-4(8(14)15)9-7(13)5-2-3-6(12)11-10-5/h4H,2-3H2,1H3,(H,9,13)(H,11,12)(H,14,15).
What are the key properties of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 213.19 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43355380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).