methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate

C12H17NO3 — CID 79622163

IUPACmethyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccccc1N
InChIInChI=1S/C12H17NO3/c1-12(2,11(14)15-3)8-16-10-7-5-4-6-9(10)13/h4-7H,8,13H2,1-3H3
InChIKeyZJONWKUUQIYGFM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.85
Rot. Bonds4

About methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate

methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate (PubChem CID 79622163) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
PubChem CID79622163
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccccc1N
InChIInChI=1S/C12H17NO3/c1-12(2,11(14)15-3)8-16-10-7-5-4-6-9(10)13/h4-7H,8,13H2,1-3H3
InChIKeyZJONWKUUQIYGFM-UHFFFAOYSA-N
XLogP1.85
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(2-aminophenoxy)acetyl]oxy-2,2-dimethylpropanoate
CID 79621275
methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate
CID 79620429
methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
CID 79621575
methyl 2,2-dimethyl-3-(2-prop-2-enylphenoxy)propanoate
CID 79622880
methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
3-(3-amino-2-methoxycarbonylphenoxy)-2,2-dimethylpropanoic acid
CID 107341870
5-(2-aminophenoxy)-2,2-dimethylpentanoic acid
CID 22155553
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
3-(3-amino-2-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79622080
methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate
CID 79622266
methyl 3-(1-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoate
CID 79622787

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate (CID 79622163) is methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate is COC(=O)C(C)(C)COc1ccccc1N.
What is the InChIKey of methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate?
The InChIKey is ZJONWKUUQIYGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,11(14)15-3)8-16-10-7-5-4-6-9(10)13/h4-7H,8,13H2,1-3H3.
What are the key properties of methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate?
methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate has a molecular weight of 223.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate is sourced from PubChem (CID 79622163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).