2-(2-aminophenyl)iminoacetic acid

C8H8N2O2 — CID 89155103

IUPAC2-(2-aminophenyl)iminoacetic acid
SMILESNc1ccccc1/N=C/C(=O)O
InChIInChI=1S/C8H8N2O2/c9-6-3-1-2-4-7(6)10-5-8(11)12/h1-5H,9H2,(H,11,12)/b10-5+
InChIKeyIIQYDSGPRYMSAP-BJMVGYQFSA-N
MW164.16 g/mol
LogP1.06
Rot. Bonds2

About 2-(2-aminophenyl)iminoacetic acid

2-(2-aminophenyl)iminoacetic acid (PubChem CID 89155103) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(2-aminophenyl)iminoacetic acid.

Molecular Properties

Compound Name2-(2-aminophenyl)iminoacetic acid
PubChem CID89155103
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-(2-aminophenyl)iminoacetic acid
SMILESNc1ccccc1/N=C/C(=O)O
InChIInChI=1S/C8H8N2O2/c9-6-3-1-2-4-7(6)10-5-8(11)12/h1-5H,9H2,(H,11,12)/b10-5+
InChIKeyIIQYDSGPRYMSAP-BJMVGYQFSA-N
XLogP1.06
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)iminoacetic acid?
The IUPAC name of 2-(2-aminophenyl)iminoacetic acid (CID 89155103) is 2-(2-aminophenyl)iminoacetic acid.
What is the SMILES notation for 2-(2-aminophenyl)iminoacetic acid?
The canonical SMILES for 2-(2-aminophenyl)iminoacetic acid is Nc1ccccc1/N=C/C(=O)O.
What is the InChIKey of 2-(2-aminophenyl)iminoacetic acid?
The InChIKey is IIQYDSGPRYMSAP-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-6-3-1-2-4-7(6)10-5-8(11)12/h1-5H,9H2,(H,11,12)/b10-5+.
What are the key properties of 2-(2-aminophenyl)iminoacetic acid?
2-(2-aminophenyl)iminoacetic acid has a molecular weight of 164.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)iminoacetic acid is sourced from PubChem (CID 89155103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).