3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid

C8H11NO4Se — CID 88746049

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid
SMILESC[Se]C(CC(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4Se/c1-14-7(4-8(12)13)9-5(10)2-3-6(9)11/h7H,2-4H2,1H3,(H,12,13)
InChIKeyJTAOFDHKZDPLMF-UHFFFAOYSA-N
MW264.14 g/mol
LogP-0.31
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid

3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid (PubChem CID 88746049) has the molecular formula C8H11NO4Se and a molecular weight of 264.14 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid
PubChem CID88746049
Molecular FormulaC8H11NO4Se
Molecular Weight264.14 g/mol
Exact Mass264.99
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid
SMILESC[Se]C(CC(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C8H11NO4Se/c1-14-7(4-8(12)13)9-5(10)2-3-6(9)11/h7H,2-4H2,1H3,(H,12,13)
InChIKeyJTAOFDHKZDPLMF-UHFFFAOYSA-N
XLogP-0.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid (CID 88746049) is 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid is C[Se]C(CC(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid?
The InChIKey is JTAOFDHKZDPLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4Se/c1-14-7(4-8(12)13)9-5(10)2-3-6(9)11/h7H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid?
3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid has a molecular weight of 264.14 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-3-methylselanylpropanoic acid is sourced from PubChem (CID 88746049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).