2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid

C7H9I2N3O2 — CID 130508611

IUPAC2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid
SMILESCC(N)(Cn1cnc(I)c1I)C(=O)O
InChIInChI=1S/C7H9I2N3O2/c1-7(10,6(13)14)2-12-3-11-4(8)5(12)9/h3H,2,10H2,1H3,(H,13,14)
InChIKeyRFDCHMRNEONAGN-UHFFFAOYSA-N
MW420.98 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid

2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid (PubChem CID 130508611) has the molecular formula C7H9I2N3O2 and a molecular weight of 420.98 g/mol. Its IUPAC name is 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid
PubChem CID130508611
Molecular FormulaC7H9I2N3O2
Molecular Weight420.98 g/mol
Exact Mass420.88
IUPAC Name2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid
SMILESCC(N)(Cn1cnc(I)c1I)C(=O)O
InChIInChI=1S/C7H9I2N3O2/c1-7(10,6(13)14)2-12-3-11-4(8)5(12)9/h3H,2,10H2,1H3,(H,13,14)
InChIKeyRFDCHMRNEONAGN-UHFFFAOYSA-N
XLogP0.89
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.98
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid (CID 130508611) is 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid is CC(N)(Cn1cnc(I)c1I)C(=O)O.
What is the InChIKey of 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid?
The InChIKey is RFDCHMRNEONAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9I2N3O2/c1-7(10,6(13)14)2-12-3-11-4(8)5(12)9/h3H,2,10H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid?
2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid has a molecular weight of 420.98 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,5-diiodoimidazol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 130508611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).