methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate

C9H12N2O3 — CID 107427811

IUPACmethyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)[C@@H](C)n1ncc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-6-4-8(12)11(10-5-6)7(2)9(13)14-3/h4-5,7H,1-3H3/t7-/m1/s1
InChIKeyFWAIJDHMZVHWEP-SSDOTTSWSA-N
MW196.21 g/mol
LogP0.29
Rot. Bonds2

About methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate

methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate (PubChem CID 107427811) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate
PubChem CID107427811
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)[C@@H](C)n1ncc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-6-4-8(12)11(10-5-6)7(2)9(13)14-3/h4-5,7H,1-3H3/t7-/m1/s1
InChIKeyFWAIJDHMZVHWEP-SSDOTTSWSA-N
XLogP0.29
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate (CID 107427811) is methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate is COC(=O)[C@@H](C)n1ncc(C)cc1=O.
What is the InChIKey of methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The InChIKey is FWAIJDHMZVHWEP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-4-8(12)11(10-5-6)7(2)9(13)14-3/h4-5,7H,1-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate has a molecular weight of 196.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 107427811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).