ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate

C10H14N2O3 — CID 124563539

IUPACethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)[C@H](C)n1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)8(3)12-9(13)5-7(2)6-11-12/h5-6,8H,4H2,1-3H3/t8-/m0/s1
InChIKeyDYCPOHVCMCFCJK-QMMMGPOBSA-N
MW210.23 g/mol
LogP0.68
Rot. Bonds3

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

ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate (PubChem CID 124563539) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate
PubChem CID124563539
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate
SMILESCCOC(=O)[C@H](C)n1ncc(C)cc1=O
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)8(3)12-9(13)5-7(2)6-11-12/h5-6,8H,4H2,1-3H3/t8-/m0/s1
InChIKeyDYCPOHVCMCFCJK-QMMMGPOBSA-N
XLogP0.68
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate (CID 124563539) is ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate is CCOC(=O)[C@H](C)n1ncc(C)cc1=O.
What is the InChIKey of ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
The InChIKey is DYCPOHVCMCFCJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-15-10(14)8(3)12-9(13)5-7(2)6-11-12/h5-6,8H,4H2,1-3H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate?
ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 124563539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).