methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate

C12H16N2O5 — CID 127255150

IUPACmethyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COc1cn(C)c(C)cc1=O
InChIInChI=1S/C12H16N2O5/c1-8-4-9(15)10(6-14(8)2)19-7-11(16)13-5-12(17)18-3/h4,6H,5,7H2,1-3H3,(H,13,16)
InChIKeyMTAQXBJUYGEPHY-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.64
Rot. Bonds5

About methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate

methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate (PubChem CID 127255150) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate
PubChem CID127255150
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Namemethyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COc1cn(C)c(C)cc1=O
InChIInChI=1S/C12H16N2O5/c1-8-4-9(15)10(6-14(8)2)19-7-11(16)13-5-12(17)18-3/h4,6H,5,7H2,1-3H3,(H,13,16)
InChIKeyMTAQXBJUYGEPHY-UHFFFAOYSA-N
XLogP-0.64
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate with MolForge

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Related Compounds

(4-Hydroxy-5-methoxypyridin-2-yl)(morpholin-4-yl)methanone
CID 127254910
Ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate
CID 18566888
ethyl 2-(2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamido)acetate
CID 27646392
3-(ethoxycarbonylmethylaminocarbonyloxy)-1-(3-ethoxypropyl)-2-methyl-4(1H)-pyridinone
CID 19862586
3-(ethoxycarbonylmethylaminocarbonyloxy)-1,2-dimethyl-4(1H)-pyridinone
CID 19862590
Ethyl 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
CID 19862595
Ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
CID 19862596
Ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
CID 19862599
3-(ethoxycarbonylmethylaminocarbonyloxy)-1-(3-ethoxypropyl)-2-methyl-4(1H)-pyridinone hydrochloride
CID 19862601
3-(ethoxycarbonylmethylaminocarbonyloxy)-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 19862602
3-(ethoxycarbonylmethylaminocarbonyloxy)-2-ethyl-1-methyl-4(1H)-pyridinone
CID 19862606
Ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate
CID 19862607

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate (CID 127255150) is methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate is COC(=O)CNC(=O)COc1cn(C)c(C)cc1=O.
What is the InChIKey of methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate?
The InChIKey is MTAQXBJUYGEPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8-4-9(15)10(6-14(8)2)19-7-11(16)13-5-12(17)18-3/h4,6H,5,7H2,1-3H3,(H,13,16).
What are the key properties of methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate?
methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate has a molecular weight of 268.27 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetyl]amino]acetate is sourced from PubChem (CID 127255150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).