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

C9H13N3O4 — CID 61261887

IUPAC2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-9(2,8(15)16)10-7(14)5-3-4-6(13)12-11-5/h3-4H2,1-2H3,(H,10,14)(H,12,13)(H,15,16)
InChIKeyOYBIIFDBUBUZMK-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.77
Rot. Bonds3

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

2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 61261887) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
PubChem CID61261887
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-9(2,8(15)16)10-7(14)5-3-4-6(13)12-11-5/h3-4H2,1-2H3,(H,10,14)(H,12,13)(H,15,16)
InChIKeyOYBIIFDBUBUZMK-UHFFFAOYSA-N
XLogP-0.77
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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 2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid (CID 61261887) is 2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is CC(C)(NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is OYBIIFDBUBUZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-9(2,8(15)16)10-7(14)5-3-4-6(13)12-11-5/h3-4H2,1-2H3,(H,10,14)(H,12,13)(H,15,16).
What are the key properties of 2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid?
2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.77, 3 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-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61261887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).