methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate

C12H14FNO4 — CID 43406909

IUPACmethyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C12H14FNO4/c1-14(7-12(16)17-2)11(15)8-18-10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3
InChIKeyFDAWRYVYZMOSDK-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.84
Rot. Bonds5

About methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate

methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate (PubChem CID 43406909) has the molecular formula C12H14FNO4 and a molecular weight of 255.25 g/mol. Its IUPAC name is methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
PubChem CID43406909
Molecular FormulaC12H14FNO4
Molecular Weight255.25 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C12H14FNO4/c1-14(7-12(16)17-2)11(15)8-18-10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3
InChIKeyFDAWRYVYZMOSDK-UHFFFAOYSA-N
XLogP0.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
CID 43407385
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
CID 61011300
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458350
2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 110753601
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7936390
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
methyl 4-[[2-(4-iodophenoxy)acetyl]-methylamino]butanoate
CID 134033355
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate (CID 43406909) is methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)COc1ccc(F)cc1.
What is the InChIKey of methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate?
The InChIKey is FDAWRYVYZMOSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-14(7-12(16)17-2)11(15)8-18-10-5-3-9(13)4-6-10/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate?
methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate has a molecular weight of 255.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate is sourced from PubChem (CID 43406909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).