lithium 2-acetamido-4-phenyltellanylbutanoate

C12H14LiNO3Te — CID 139265342

IUPAClithium 2-acetamido-4-phenyltellanylbutanoate
SMILESCC(=O)NC(CC[Te]c1ccccc1)C(=O)[O-].[Li+]
InChIInChI=1S/C12H15NO3Te.Li/c1-9(14)13-11(12(15)16)7-8-17-10-5-3-2-4-6-10;/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyIZRKIUONDOHBAL-UHFFFAOYSA-M
MW354.79 g/mol
LogP-3.92
Rot. Bonds6

About lithium 2-acetamido-4-phenyltellanylbutanoate

lithium 2-acetamido-4-phenyltellanylbutanoate (PubChem CID 139265342) has the molecular formula C12H14LiNO3Te and a molecular weight of 354.79 g/mol. Its IUPAC name is lithium 2-acetamido-4-phenyltellanylbutanoate.

Molecular Properties

Compound Namelithium 2-acetamido-4-phenyltellanylbutanoate
PubChem CID139265342
Molecular FormulaC12H14LiNO3Te
Molecular Weight354.79 g/mol
Exact Mass357.02
IUPAC Namelithium 2-acetamido-4-phenyltellanylbutanoate
SMILESCC(=O)NC(CC[Te]c1ccccc1)C(=O)[O-].[Li+]
InChIInChI=1S/C12H15NO3Te.Li/c1-9(14)13-11(12(15)16)7-8-17-10-5-3-2-4-6-10;/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyIZRKIUONDOHBAL-UHFFFAOYSA-M
XLogP-3.92
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 5-3.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-acetamido-4-phenyltellanylbutanoate?
The IUPAC name of lithium 2-acetamido-4-phenyltellanylbutanoate (CID 139265342) is lithium 2-acetamido-4-phenyltellanylbutanoate.
What is the SMILES notation for lithium 2-acetamido-4-phenyltellanylbutanoate?
The canonical SMILES for lithium 2-acetamido-4-phenyltellanylbutanoate is CC(=O)NC(CC[Te]c1ccccc1)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-acetamido-4-phenyltellanylbutanoate?
The InChIKey is IZRKIUONDOHBAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO3Te.Li/c1-9(14)13-11(12(15)16)7-8-17-10-5-3-2-4-6-10;/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1.
What are the key properties of lithium 2-acetamido-4-phenyltellanylbutanoate?
lithium 2-acetamido-4-phenyltellanylbutanoate has a molecular weight of 354.79 g/mol, XLogP of -3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-acetamido-4-phenyltellanylbutanoate is sourced from PubChem (CID 139265342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).