3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione

C4H5NO3 — CID 20762892

IUPAC3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione
SMILES[2H]C1C(=O)N(O)C(=O)C1([2H])[2H]
InChIInChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2/i1D,2D2
InChIKeyNQTADLQHYWFPDB-APAIHEESSA-N
MW118.11 g/mol
LogP-0.48
Rot. Bonds

About 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione

3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione (PubChem CID 20762892) has the molecular formula C4H5NO3 and a molecular weight of 118.11 g/mol. Its IUPAC name is 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione
PubChem CID20762892
Molecular FormulaC4H5NO3
Molecular Weight118.11 g/mol
Exact Mass118.05
IUPAC Name3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione
SMILES[2H]C1C(=O)N(O)C(=O)C1([2H])[2H]
InChIInChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2/i1D,2D2
InChIKeyNQTADLQHYWFPDB-APAIHEESSA-N
XLogP-0.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Hydroxysuccinimide
CID 80170
N-Iodosuccinimide
CID 120273
Acetic acid N-hydroxysuccinimide ester
CID 84460
N-(acetoxy-d3)succinimide
CID 60010291
Succinimidyl carbonate
CID 148208
2,5-Pyrrolidinedione, sodium salt
CID 12621758
Succinimide, N-methoxy-
CID 544225
1-Oxidopyrrolidine-2,5-dione
CID 11194364
Lithium succinimide
CID 11251970
succin-imide N-oxide
CID 18544939
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) hydrogen carbonate
CID 21223258
1-Hydroxy-3-methylpyrrolidine-2,5-dione
CID 21494717

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione (CID 20762892) is 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione is [2H]C1C(=O)N(O)C(=O)C1([2H])[2H].
What is the InChIKey of 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is NQTADLQHYWFPDB-APAIHEESSA-N. The full InChI is InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2/i1D,2D2.
What are the key properties of 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione?
3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 118.11 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trideuterio-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 20762892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).