3-(2-aminoethyl)-4-ethoxybenzoic acid

C11H15NO3 — CID 82052276

IUPAC3-(2-aminoethyl)-4-ethoxybenzoic acid
SMILESCCOc1ccc(C(=O)O)cc1CCN
InChIInChI=1S/C11H15NO3/c1-2-15-10-4-3-9(11(13)14)7-8(10)5-6-12/h3-4,7H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyFBQWGTGGEYWSPO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.28
Rot. Bonds5

About 3-(2-aminoethyl)-4-ethoxybenzoic acid

3-(2-aminoethyl)-4-ethoxybenzoic acid (PubChem CID 82052276) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-ethoxybenzoic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-ethoxybenzoic acid
PubChem CID82052276
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(2-aminoethyl)-4-ethoxybenzoic acid
SMILESCCOc1ccc(C(=O)O)cc1CCN
InChIInChI=1S/C11H15NO3/c1-2-15-10-4-3-9(11(13)14)7-8(10)5-6-12/h3-4,7H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyFBQWGTGGEYWSPO-UHFFFAOYSA-N
XLogP1.28
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-formylbenzoic acid
CID 40655849
1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 62687564
1-(4-ethoxy-3-ethylphenyl)propan-1-one
CID 82054209
4-ethoxy-3-ethynylbenzoic acid
CID 138986371
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid
CID 22052399
4-(2-aminoethyl)-3-fluorobenzoic acid
CID 68728467
3-ethoxy-4-formylbenzoic acid
CID 21100742
5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
CID 162348534
4-(2-aminoethyl)-3-hydroxybenzoic acid;hydrobromide
CID 119031649
(E)-4-(4-ethoxy-3-ethylphenyl)-4-oxobut-2-enoic acid
CID 82054206
CID 70594097
CID 70594097

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-ethoxybenzoic acid?
The IUPAC name of 3-(2-aminoethyl)-4-ethoxybenzoic acid (CID 82052276) is 3-(2-aminoethyl)-4-ethoxybenzoic acid.
What is the SMILES notation for 3-(2-aminoethyl)-4-ethoxybenzoic acid?
The canonical SMILES for 3-(2-aminoethyl)-4-ethoxybenzoic acid is CCOc1ccc(C(=O)O)cc1CCN.
What is the InChIKey of 3-(2-aminoethyl)-4-ethoxybenzoic acid?
The InChIKey is FBQWGTGGEYWSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-10-4-3-9(11(13)14)7-8(10)5-6-12/h3-4,7H,2,5-6,12H2,1H3,(H,13,14).
What are the key properties of 3-(2-aminoethyl)-4-ethoxybenzoic acid?
3-(2-aminoethyl)-4-ethoxybenzoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-ethoxybenzoic acid is sourced from PubChem (CID 82052276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).