2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione

C4H7N3O3 — CID 3085372

IUPAC2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione
SMILESNCCn1oc(=O)[nH]c1=O
InChIInChI=1S/C4H7N3O3/c5-1-2-7-3(8)6-4(9)10-7/h1-2,5H2,(H,6,8,9)
InChIKeyLIPCXBVXQUFCSC-UHFFFAOYSA-N
MW145.12 g/mol
LogP-1.91
Rot. Bonds2

About 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione

2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 3085372) has the molecular formula C4H7N3O3 and a molecular weight of 145.12 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione
PubChem CID3085372
Molecular FormulaC4H7N3O3
Molecular Weight145.12 g/mol
Exact Mass145.05
IUPAC Name2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione
SMILESNCCn1oc(=O)[nH]c1=O
InChIInChI=1S/C4H7N3O3/c5-1-2-7-3(8)6-4(9)10-7/h1-2,5H2,(H,6,8,9)
InChIKeyLIPCXBVXQUFCSC-UHFFFAOYSA-N
XLogP-1.91
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione (CID 3085372) is 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione is NCCn1oc(=O)[nH]c1=O.
What is the InChIKey of 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is LIPCXBVXQUFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O3/c5-1-2-7-3(8)6-4(9)10-7/h1-2,5H2,(H,6,8,9).
What are the key properties of 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione?
2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 145.12 g/mol, XLogP of -1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 3085372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).