4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid

C14H17NO5Te — CID 74407424

IUPAC4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid
SMILESCOC(=O)C(CC(=O)O)NC(=O)CC[Te]c1ccccc1
InChIInChI=1S/C14H17NO5Te/c1-20-14(19)11(9-13(17)18)15-12(16)7-8-21-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyADNVHUWEPWKSOO-UHFFFAOYSA-N
MW406.89 g/mol
LogP-0.04
Rot. Bonds8

About 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid

4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid (PubChem CID 74407424) has the molecular formula C14H17NO5Te and a molecular weight of 406.89 g/mol. Its IUPAC name is 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid
PubChem CID74407424
Molecular FormulaC14H17NO5Te
Molecular Weight406.89 g/mol
Exact Mass409.02
IUPAC Name4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid
SMILESCOC(=O)C(CC(=O)O)NC(=O)CC[Te]c1ccccc1
InChIInChI=1S/C14H17NO5Te/c1-20-14(19)11(9-13(17)18)15-12(16)7-8-21-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyADNVHUWEPWKSOO-UHFFFAOYSA-N
XLogP-0.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid?
The IUPAC name of 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid (CID 74407424) is 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid?
The canonical SMILES for 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid is COC(=O)C(CC(=O)O)NC(=O)CC[Te]c1ccccc1.
What is the InChIKey of 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid?
The InChIKey is ADNVHUWEPWKSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5Te/c1-20-14(19)11(9-13(17)18)15-12(16)7-8-21-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid?
4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid has a molecular weight of 406.89 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-oxo-3-(3-phenyltellanylpropanoylamino)butanoic acid is sourced from PubChem (CID 74407424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).