methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate

C13H14ClNO6 — CID 3935127

IUPACmethyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO6/c1-19-12(17)6-15-11(16)7-21-13(18)8-20-10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyIUTXPXXCHWJKKL-UHFFFAOYSA-N
MW315.71 g/mol
LogP0.55
Rot. Bonds7

About methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate

methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate (PubChem CID 3935127) has the molecular formula C13H14ClNO6 and a molecular weight of 315.71 g/mol. Its IUPAC name is methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate
PubChem CID3935127
Molecular FormulaC13H14ClNO6
Molecular Weight315.71 g/mol
Exact Mass315.05
IUPAC Namemethyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO6/c1-19-12(17)6-15-11(16)7-21-13(18)8-20-10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyIUTXPXXCHWJKKL-UHFFFAOYSA-N
XLogP0.55
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229414
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate
CID 47102294
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2521079
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855139
methyl 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]acetate
CID 24690991
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229427
methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9229423
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
CID 35943053
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate (CID 3935127) is methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate is COC(=O)CNC(=O)COC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate?
The InChIKey is IUTXPXXCHWJKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO6/c1-19-12(17)6-15-11(16)7-21-13(18)8-20-10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H,15,16).
What are the key properties of methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate?
methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate has a molecular weight of 315.71 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate is sourced from PubChem (CID 3935127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).