methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate

C8H10N2O4 — CID 917370

IUPACmethyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate
SMILESCOC(=O)[C@H](C)Oc1ccc(=O)[nH]n1
InChIInChI=1S/C8H10N2O4/c1-5(8(12)13-2)14-7-4-3-6(11)9-10-7/h3-5H,1-2H3,(H,9,11)/t5-/m0/s1
InChIKeyHYLUAVHBBUQJHM-YFKPBYRVSA-N
MW198.18 g/mol
LogP-0.29
Rot. Bonds3

About methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate

methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate (PubChem CID 917370) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate
PubChem CID917370
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate
SMILESCOC(=O)[C@H](C)Oc1ccc(=O)[nH]n1
InChIInChI=1S/C8H10N2O4/c1-5(8(12)13-2)14-7-4-3-6(11)9-10-7/h3-5H,1-2H3,(H,9,11)/t5-/m0/s1
InChIKeyHYLUAVHBBUQJHM-YFKPBYRVSA-N
XLogP-0.29
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate?
The IUPAC name of methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate (CID 917370) is methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate.
What is the SMILES notation for methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate?
The canonical SMILES for methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate is COC(=O)[C@H](C)Oc1ccc(=O)[nH]n1.
What is the InChIKey of methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate?
The InChIKey is HYLUAVHBBUQJHM-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(8(12)13-2)14-7-4-3-6(11)9-10-7/h3-5H,1-2H3,(H,9,11)/t5-/m0/s1.
What are the key properties of methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate?
methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate has a molecular weight of 198.18 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(6-oxo-1H-pyridazin-3-yl)oxy]propanoate is sourced from PubChem (CID 917370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).