3-(2-amino-6-ethoxyphenyl)propanoic acid

C11H15NO3 — CID 84676808

IUPAC3-(2-amino-6-ethoxyphenyl)propanoic acid
SMILESCCOc1cccc(N)c1CCC(=O)O
InChIInChI=1S/C11H15NO3/c1-2-15-10-5-3-4-9(12)8(10)6-7-11(13)14/h3-5H,2,6-7,12H2,1H3,(H,13,14)
InChIKeyQLQCOYNFBGPQNU-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.68
Rot. Bonds5

About 3-(2-amino-6-ethoxyphenyl)propanoic acid

3-(2-amino-6-ethoxyphenyl)propanoic acid (PubChem CID 84676808) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(2-amino-6-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-6-ethoxyphenyl)propanoic acid
PubChem CID84676808
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(2-amino-6-ethoxyphenyl)propanoic acid
SMILESCCOc1cccc(N)c1CCC(=O)O
InChIInChI=1S/C11H15NO3/c1-2-15-10-5-3-4-9(12)8(10)6-7-11(13)14/h3-5H,2,6-7,12H2,1H3,(H,13,14)
InChIKeyQLQCOYNFBGPQNU-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid
CID 134644738
methyl 2-(2-amino-6-ethoxyphenyl)acetate
CID 84676806
4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
CID 117321755
3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
3-(2-amino-6-bromophenyl)propanoic acid
CID 83853286
2-ethoxyaniline;propan-2-one
CID 517004
ethyl 3-(2-amino-6-propan-2-yloxyphenyl)propanoate
CID 174461340
3-[2-amino-6-[carboxy(hydroxy)methyl]phenyl]propanoic acid
CID 134658028
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123
2-ethoxyaniline;molecular hydrogen
CID 144877970
4-(3-hydroxy-2-propylphenoxy)butanoic acid
CID 67632631
2-amino-3-ethoxybenzamide
CID 70121071

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-ethoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-amino-6-ethoxyphenyl)propanoic acid (CID 84676808) is 3-(2-amino-6-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-amino-6-ethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-amino-6-ethoxyphenyl)propanoic acid is CCOc1cccc(N)c1CCC(=O)O.
What is the InChIKey of 3-(2-amino-6-ethoxyphenyl)propanoic acid?
The InChIKey is QLQCOYNFBGPQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-10-5-3-4-9(12)8(10)6-7-11(13)14/h3-5H,2,6-7,12H2,1H3,(H,13,14).
What are the key properties of 3-(2-amino-6-ethoxyphenyl)propanoic acid?
3-(2-amino-6-ethoxyphenyl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 84676808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).