2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid

C12H17NO4 — CID 55134399

IUPAC2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
SMILESCOc1ccc(CCN)c(OC(C)C(=O)O)c1
InChIInChI=1S/C12H17NO4/c1-8(12(14)15)17-11-7-10(16-2)4-3-9(11)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyAAAHDOZIWQRVNK-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.05
Rot. Bonds6

About 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid

2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid (PubChem CID 55134399) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
PubChem CID55134399
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
SMILESCOc1ccc(CCN)c(OC(C)C(=O)O)c1
InChIInChI=1S/C12H17NO4/c1-8(12(14)15)17-11-7-10(16-2)4-3-9(11)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyAAAHDOZIWQRVNK-UHFFFAOYSA-N
XLogP1.05
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 61267293
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 61269245
3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79621891
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
methyl 3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoate
CID 79621787
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
CID 61269246
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylpropanamide
CID 61268519
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 61268017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid?
The IUPAC name of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid (CID 55134399) is 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid?
The canonical SMILES for 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid is COc1ccc(CCN)c(OC(C)C(=O)O)c1.
What is the InChIKey of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid?
The InChIKey is AAAHDOZIWQRVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(12(14)15)17-11-7-10(16-2)4-3-9(11)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid?
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid is sourced from PubChem (CID 55134399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).