2-(2-aminophenoxy)acetic acid

C8H9NO3 — CID 5020128

IUPAC2-(2-aminophenoxy)acetic acid
SMILESNc1ccccc1OCC(=O)O
InChIInChI=1S/C8H9NO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKeyCJGAGJOWSFCOPQ-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-aminophenoxy)acetic acid

2-(2-aminophenoxy)acetic acid (PubChem CID 5020128) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(2-aminophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-aminophenoxy)acetic acid
PubChem CID5020128
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(2-aminophenoxy)acetic acid
SMILESNc1ccccc1OCC(=O)O
InChIInChI=1S/C8H9NO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKeyCJGAGJOWSFCOPQ-UHFFFAOYSA-N
XLogP0.73
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)acetic acid?
The IUPAC name of 2-(2-aminophenoxy)acetic acid (CID 5020128) is 2-(2-aminophenoxy)acetic acid.
What is the SMILES notation for 2-(2-aminophenoxy)acetic acid?
The canonical SMILES for 2-(2-aminophenoxy)acetic acid is Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-(2-aminophenoxy)acetic acid?
The InChIKey is CJGAGJOWSFCOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11).
What are the key properties of 2-(2-aminophenoxy)acetic acid?
2-(2-aminophenoxy)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)acetic acid is sourced from PubChem (CID 5020128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).