methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate

C12H13F2NO4 — CID 65443788

IUPACmethyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(F)c1F)NC(C)=O
InChIInChI=1S/C12H13F2NO4/c1-7(16)15-9(12(17)18-2)6-19-10-5-3-4-8(13)11(10)14/h3-5,9H,6H2,1-2H3,(H,15,16)
InChIKeyVRYMYQOPMPLJGB-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.02
Rot. Bonds5

About methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate

methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate (PubChem CID 65443788) has the molecular formula C12H13F2NO4 and a molecular weight of 273.24 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate
PubChem CID65443788
Molecular FormulaC12H13F2NO4
Molecular Weight273.24 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(F)c1F)NC(C)=O
InChIInChI=1S/C12H13F2NO4/c1-7(16)15-9(12(17)18-2)6-19-10-5-3-4-8(13)11(10)14/h3-5,9H,6H2,1-2H3,(H,15,16)
InChIKeyVRYMYQOPMPLJGB-UHFFFAOYSA-N
XLogP1.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
CID 65441606
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
methyl 2-acetamido-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103288839
(2S)-3-(2,3-difluorophenoxy)-2-(methylamino)propanoic acid
CID 170897243
methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
methyl 2-acetamido-3-(3-propan-2-ylphenoxy)propanoate
CID 65442173
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate (CID 65443788) is methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate is COC(=O)C(COc1cccc(F)c1F)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate?
The InChIKey is VRYMYQOPMPLJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4/c1-7(16)15-9(12(17)18-2)6-19-10-5-3-4-8(13)11(10)14/h3-5,9H,6H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate?
methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate has a molecular weight of 273.24 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate is sourced from PubChem (CID 65443788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).