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

C11H15N3O5 — CID 106107384

IUPAC3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-5-6(2)13-14-10(16)8(5)9(15)12-4-7(19-3)11(17)18/h7H,4H2,1-3H3,(H,12,15)(H,14,16)(H,17,18)
InChIKeyLFDVIPVLAOOJIC-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.78
Rot. Bonds5

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

3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid (PubChem CID 106107384) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid
PubChem CID106107384
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-5-6(2)13-14-10(16)8(5)9(15)12-4-7(19-3)11(17)18/h7H,4H2,1-3H3,(H,12,15)(H,14,16)(H,17,18)
InChIKeyLFDVIPVLAOOJIC-UHFFFAOYSA-N
XLogP-0.78
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid (CID 106107384) is 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)O.
What is the InChIKey of 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid?
The InChIKey is LFDVIPVLAOOJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5-6(2)13-14-10(16)8(5)9(15)12-4-7(19-3)11(17)18/h7H,4H2,1-3H3,(H,12,15)(H,14,16)(H,17,18).
What are the key properties of 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid?
3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).