2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid

C6H7N3O4 — CID 104768296

IUPAC2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid
SMILESO=C(O)C(=O)NCCc1ncno1
InChIInChI=1S/C6H7N3O4/c10-5(6(11)12)7-2-1-4-8-3-9-13-4/h3H,1-2H2,(H,7,10)(H,11,12)
InChIKeyWRYDEAVWTGQEPT-UHFFFAOYSA-N
MW185.14 g/mol
LogP-1.19
Rot. Bonds3

About 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid (PubChem CID 104768296) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid
PubChem CID104768296
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid
SMILESO=C(O)C(=O)NCCc1ncno1
InChIInChI=1S/C6H7N3O4/c10-5(6(11)12)7-2-1-4-8-3-9-13-4/h3H,1-2H2,(H,7,10)(H,11,12)
InChIKeyWRYDEAVWTGQEPT-UHFFFAOYSA-N
XLogP-1.19
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid (CID 104768296) is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid is O=C(O)C(=O)NCCc1ncno1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid?
The InChIKey is WRYDEAVWTGQEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c10-5(6(11)12)7-2-1-4-8-3-9-13-4/h3H,1-2H2,(H,7,10)(H,11,12).
What are the key properties of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid?
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid has a molecular weight of 185.14 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetic acid is sourced from PubChem (CID 104768296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).