4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide

C5H8N4O4 — CID 3140731

IUPAC4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
SMILESNc1no[n+]([O-])c1C(=O)NCCO
InChIInChI=1S/C5H8N4O4/c6-4-3(9(12)13-8-4)5(11)7-1-2-10/h10H,1-2H2,(H2,6,8)(H,7,11)
InChIKeyGLBFBMNXNDWIKL-UHFFFAOYSA-N
MW188.14 g/mol
LogP-2.39
Rot. Bonds3

About 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide

4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide (PubChem CID 3140731) has the molecular formula C5H8N4O4 and a molecular weight of 188.14 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
PubChem CID3140731
Molecular FormulaC5H8N4O4
Molecular Weight188.14 g/mol
Exact Mass188.05
IUPAC Name4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
SMILESNc1no[n+]([O-])c1C(=O)NCCO
InChIInChI=1S/C5H8N4O4/c6-4-3(9(12)13-8-4)5(11)7-1-2-10/h10H,1-2H2,(H2,6,8)(H,7,11)
InChIKeyGLBFBMNXNDWIKL-UHFFFAOYSA-N
XLogP-2.39
TPSA128.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-2.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide (CID 3140731) is 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide is Nc1no[n+]([O-])c1C(=O)NCCO.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide?
The InChIKey is GLBFBMNXNDWIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O4/c6-4-3(9(12)13-8-4)5(11)7-1-2-10/h10H,1-2H2,(H2,6,8)(H,7,11).
What are the key properties of 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide?
4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide has a molecular weight of 188.14 g/mol, XLogP of -2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide is sourced from PubChem (CID 3140731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).