2-Aminoacetic acid;iron;sulfuric acid

C₂H₇FeNO₆S — CID 87224971

About 2-Aminoacetic acid;iron;sulfuric acid

2-Aminoacetic acid;iron;sulfuric acid (PubChem CID 87224971) has the molecular formula C₂H₇FeNO₆S and a molecular weight of 228.99 g/mol. Its IUPAC name is 2-aminoacetic acid;iron;sulfuric acid.

Molecular Properties

• Compound Name: 2-Aminoacetic acid;iron;sulfuric acid
• PubChem CID: 87224971
• Molecular Formula: C₂H₇FeNO₆S
• Molecular Weight: 228.99 g/mol
• Exact Mass: 228.93
• IUPAC Name: 2-aminoacetic acid;iron;sulfuric acid
• SMILES: NCC(=O)O.O=S(=O)(O)O.[Fe]
• InChI: InChI=1S/C2H5NO2.Fe.H2O4S/c3-1-2(4)5;;1-5(2,3)4/h1,3H2,(H,4,5);;(H2,1,2,3,4)
• InChIKey: VGJMNGSYOMPMCU-UHFFFAOYSA-N
• XLogP: -1.63
• TPSA: 137.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	228.99
LogP ≤ 5	-1.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-Aminoacetic acid;iron;sulfuric acid?

The IUPAC name of 2-Aminoacetic acid;iron;sulfuric acid (CID 87224971) is 2-aminoacetic acid;iron;sulfuric acid.

What is the SMILES notation for 2-Aminoacetic acid;iron;sulfuric acid?

The canonical SMILES for 2-Aminoacetic acid;iron;sulfuric acid is NCC(=O)O.O=S(=O)(O)O.[Fe].

What is the InChIKey of 2-Aminoacetic acid;iron;sulfuric acid?

The InChIKey is VGJMNGSYOMPMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.Fe.H2O4S/c3-1-2(4)5;;1-5(2,3)4/h1,3H2,(H,4,5);;(H2,1,2,3,4).

What are the key properties of 2-Aminoacetic acid;iron;sulfuric acid?

2-Aminoacetic acid;iron;sulfuric acid has a molecular weight of 228.99 g/mol, XLogP of -1.63, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Aminoacetic acid;iron;sulfuric acid is sourced from PubChem (CID 87224971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87224971 — identifiers, structure, computed properties (public domain)

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