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

C10H13N3O4 — CID 43354890

IUPAC3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)NCCC(=O)O)c1C
InChIInChI=1S/C10H13N3O4/c1-5-6(2)12-13-10(17)8(5)9(16)11-4-3-7(14)15/h3-4H2,1-2H3,(H,11,16)(H,13,17)(H,14,15)
InChIKeyBISRMVOQASYWCS-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.41
Rot. Bonds4

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

3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid (PubChem CID 43354890) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
PubChem CID43354890
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid
SMILESCc1n[nH]c(=O)c(C(=O)NCCC(=O)O)c1C
InChIInChI=1S/C10H13N3O4/c1-5-6(2)12-13-10(17)8(5)9(16)11-4-3-7(14)15/h3-4H2,1-2H3,(H,11,16)(H,13,17)(H,14,15)
InChIKeyBISRMVOQASYWCS-UHFFFAOYSA-N
XLogP-0.41
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid (CID 43354890) is 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid is Cc1n[nH]c(=O)c(C(=O)NCCC(=O)O)c1C.
What is the InChIKey of 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
The InChIKey is BISRMVOQASYWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5-6(2)12-13-10(17)8(5)9(16)11-4-3-7(14)15/h3-4H2,1-2H3,(H,11,16)(H,13,17)(H,14,15).
What are the key properties of 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid?
3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43354890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).