methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate

C13H17NO5 — CID 65442964

IUPACmethyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
SMILESCOC(=O)C(COc1ccccc1OC)NC(C)=O
InChIInChI=1S/C13H17NO5/c1-9(15)14-10(13(16)18-3)8-19-12-7-5-4-6-11(12)17-2/h4-7,10H,8H2,1-3H3,(H,14,15)
InChIKeyUDVBDQVNMJYGLF-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.75
Rot. Bonds6

About methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate

methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate (PubChem CID 65442964) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
PubChem CID65442964
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
SMILESCOC(=O)C(COc1ccccc1OC)NC(C)=O
InChIInChI=1S/C13H17NO5/c1-9(15)14-10(13(16)18-3)8-19-12-7-5-4-6-11(12)17-2/h4-7,10H,8H2,1-3H3,(H,14,15)
InChIKeyUDVBDQVNMJYGLF-UHFFFAOYSA-N
XLogP0.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
1,2-dimethoxybenzene;methyl 2-acetamido-4-methylpentanoate
CID 174673868
methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate
CID 65443788
methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
CID 65441606
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid
CID 65442777
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
2-acetamido-3-(2-chlorophenoxy)propanoic acid
CID 65443959
2-acetamido-3-(2-bromophenoxy)propanoic acid
CID 65442968
2-acetamido-3-(2-iodophenoxy)propanoic acid
CID 65443376

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate (CID 65442964) is methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate is COC(=O)C(COc1ccccc1OC)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate?
The InChIKey is UDVBDQVNMJYGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-9(15)14-10(13(16)18-3)8-19-12-7-5-4-6-11(12)17-2/h4-7,10H,8H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate?
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate has a molecular weight of 267.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate is sourced from PubChem (CID 65442964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).