sodium 2-[(2-(131I)iodobenzoyl)amino]acetate

C9H7INNaO3 — CID 23663553

IUPACsodium 2-[(2-(131I)iodobenzoyl)amino]acetate
SMILESO=C([O-])CNC(=O)c1ccccc1[131I].[Na+]
InChIInChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10+4;
InChIKeyXYITYKDGJLHYPW-UDYUCQKZSA-M
MW331.06 g/mol
LogP-3.23
Rot. Bonds3

About sodium 2-[(2-(131I)iodobenzoyl)amino]acetate

sodium 2-[(2-(131I)iodobenzoyl)amino]acetate (PubChem CID 23663553) has the molecular formula C9H7INNaO3 and a molecular weight of 331.06 g/mol. Its IUPAC name is sodium 2-[(2-(131I)iodobenzoyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[(2-(131I)iodobenzoyl)amino]acetate
PubChem CID23663553
Molecular FormulaC9H7INNaO3
Molecular Weight331.06 g/mol
Exact Mass330.94
IUPAC Namesodium 2-[(2-(131I)iodobenzoyl)amino]acetate
SMILESO=C([O-])CNC(=O)c1ccccc1[131I].[Na+]
InChIInChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10+4;
InChIKeyXYITYKDGJLHYPW-UDYUCQKZSA-M
XLogP-3.23
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.06
LogP ≤ 5-3.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[(2-(131I)iodobenzoyl)amino]acetate?
The IUPAC name of sodium 2-[(2-(131I)iodobenzoyl)amino]acetate (CID 23663553) is sodium 2-[(2-(131I)iodobenzoyl)amino]acetate.
What is the SMILES notation for sodium 2-[(2-(131I)iodobenzoyl)amino]acetate?
The canonical SMILES for sodium 2-[(2-(131I)iodobenzoyl)amino]acetate is O=C([O-])CNC(=O)c1ccccc1[131I].[Na+].
What is the InChIKey of sodium 2-[(2-(131I)iodobenzoyl)amino]acetate?
The InChIKey is XYITYKDGJLHYPW-UDYUCQKZSA-M. The full InChI is InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10+4;.
What are the key properties of sodium 2-[(2-(131I)iodobenzoyl)amino]acetate?
sodium 2-[(2-(131I)iodobenzoyl)amino]acetate has a molecular weight of 331.06 g/mol, XLogP of -3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(2-(131I)iodobenzoyl)amino]acetate is sourced from PubChem (CID 23663553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).