3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid

C14H21NO4 — CID 79619998

IUPAC3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(CCN)cc1OCC(C)(C)C(=O)O
InChIInChI=1S/C14H21NO4/c1-14(2,13(16)17)9-19-12-8-10(6-7-15)4-5-11(12)18-3/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyJRRNYVOKKDBURX-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.69
Rot. Bonds7

About 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid

3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid (PubChem CID 79619998) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
PubChem CID79619998
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(CCN)cc1OCC(C)(C)C(=O)O
InChIInChI=1S/C14H21NO4/c1-14(2,13(16)17)9-19-12-8-10(6-7-15)4-5-11(12)18-3/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyJRRNYVOKKDBURX-UHFFFAOYSA-N
XLogP1.69
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(aminomethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79629784
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79620613
4-(3,4-dimethoxyphenyl)-2,2-dimethylbutanoic acid
CID 65298131
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79621891
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79016754
3-(4-amino-2-fluorophenoxy)-2,2-dimethylpropanoic acid
CID 79623200
methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid (CID 79619998) is 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid is COc1ccc(CCN)cc1OCC(C)(C)C(=O)O.
What is the InChIKey of 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is JRRNYVOKKDBURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,13(16)17)9-19-12-8-10(6-7-15)4-5-11(12)18-3/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid?
3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79619998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).