methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate

C16H23NO3Te — CID 74407383

IUPACmethyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate
SMILESCOC(=O)C(NC(=O)CCC[Te]c1ccccc1)C(C)C
InChIInChI=1S/C16H23NO3Te/c1-12(2)15(16(19)20-3)17-14(18)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9,12,15H,7,10-11H2,1-3H3,(H,17,18)
InChIKeyGDFAIBKQFSSPAS-UHFFFAOYSA-N
MW404.96 g/mol
LogP1.53
Rot. Bonds8

About methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate

methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate (PubChem CID 74407383) has the molecular formula C16H23NO3Te and a molecular weight of 404.96 g/mol. Its IUPAC name is methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate
PubChem CID74407383
Molecular FormulaC16H23NO3Te
Molecular Weight404.96 g/mol
Exact Mass407.07
IUPAC Namemethyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate
SMILESCOC(=O)C(NC(=O)CCC[Te]c1ccccc1)C(C)C
InChIInChI=1S/C16H23NO3Te/c1-12(2)15(16(19)20-3)17-14(18)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9,12,15H,7,10-11H2,1-3H3,(H,17,18)
InChIKeyGDFAIBKQFSSPAS-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate (CID 74407383) is methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate is COC(=O)C(NC(=O)CCC[Te]c1ccccc1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate?
The InChIKey is GDFAIBKQFSSPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3Te/c1-12(2)15(16(19)20-3)17-14(18)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9,12,15H,7,10-11H2,1-3H3,(H,17,18).
What are the key properties of methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate?
methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate has a molecular weight of 404.96 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(4-phenyltellanylbutanoylamino)butanoate is sourced from PubChem (CID 74407383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).