methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate

C14H19NO5 — CID 79621275

IUPACmethyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COC(=O)COc1ccccc1N
InChIInChI=1S/C14H19NO5/c1-14(2,13(17)18-3)9-20-12(16)8-19-11-7-5-4-6-10(11)15/h4-7H,8-9,15H2,1-3H3
InChIKeyFZAGPIGLGXHPLE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.39
Rot. Bonds6

About methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate

methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate (PubChem CID 79621275) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate
PubChem CID79621275
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COC(=O)COc1ccccc1N
InChIInChI=1S/C14H19NO5/c1-14(2,13(17)18-3)9-20-12(16)8-19-11-7-5-4-6-10(11)15/h4-7H,8-9,15H2,1-3H3
InChIKeyFZAGPIGLGXHPLE-UHFFFAOYSA-N
XLogP1.39
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
CID 79622163
pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate
CID 62698645
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate
CID 79620429
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
CID 79621575
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
methyl 2-(3-amino-2-methylphenoxy)acetate
CID 43437919
methyl 3-[3-(4-aminophenoxy)propanoyloxy]-2,2-dimethylpropanoate
CID 79619794
5-(2-aminophenoxy)-2,2-dimethylpentanoic acid
CID 22155553

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate (CID 79621275) is methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate is COC(=O)C(C)(C)COC(=O)COc1ccccc1N.
What is the InChIKey of methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate?
The InChIKey is FZAGPIGLGXHPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,13(17)18-3)9-20-12(16)8-19-11-7-5-4-6-10(11)15/h4-7H,8-9,15H2,1-3H3.
What are the key properties of methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate?
methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate has a molecular weight of 281.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate is sourced from PubChem (CID 79621275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).