methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate

C11H13NO6 — CID 51062619

IUPACmethyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)COc1cccn(CC(=O)OC)c1=O
InChIInChI=1S/C11H13NO6/c1-16-9(13)6-12-5-3-4-8(11(12)15)18-7-10(14)17-2/h3-5H,6-7H2,1-2H3
InChIKeyKIANIKBPGVFROC-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.43
Rot. Bonds5

About methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate

methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate (PubChem CID 51062619) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate
PubChem CID51062619
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Namemethyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)COc1cccn(CC(=O)OC)c1=O
InChIInChI=1S/C11H13NO6/c1-16-9(13)6-12-5-3-4-8(11(12)15)18-7-10(14)17-2/h3-5H,6-7H2,1-2H3
InChIKeyKIANIKBPGVFROC-UHFFFAOYSA-N
XLogP-0.43
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate (CID 51062619) is methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate is COC(=O)COc1cccn(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate?
The InChIKey is KIANIKBPGVFROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c1-16-9(13)6-12-5-3-4-8(11(12)15)18-7-10(14)17-2/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate?
methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate has a molecular weight of 255.23 g/mol, XLogP of -0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxy-2-oxoethoxy)-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 51062619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).