oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium

C12H16N3O9+ — CID 90133688

IUPACoxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium
SMILESO=C(CO[N+](=O)OCC(=O)NC1CCOC1=O)NC1CCOC1=O
InChIInChI=1S/C12H15N3O9/c16-9(13-7-1-3-21-11(7)18)5-23-15(20)24-6-10(17)14-8-2-4-22-12(8)19/h7-8H,1-6H2,(H-,13,14,16,17)/p+1
InChIKeyBDBJFMKYQANNFO-UHFFFAOYSA-O
MW346.27 g/mol
LogP-2.51
Rot. Bonds8

About oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium

oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium (PubChem CID 90133688) has the molecular formula C12H16N3O9+ and a molecular weight of 346.27 g/mol. Its IUPAC name is oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium.

Molecular Properties

Compound Nameoxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium
PubChem CID90133688
Molecular FormulaC12H16N3O9+
Molecular Weight346.27 g/mol
Exact Mass346.09
IUPAC Nameoxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium
SMILESO=C(CO[N+](=O)OCC(=O)NC1CCOC1=O)NC1CCOC1=O
InChIInChI=1S/C12H15N3O9/c16-9(13-7-1-3-21-11(7)18)5-23-15(20)24-6-10(17)14-8-2-4-22-12(8)19/h7-8H,1-6H2,(H-,13,14,16,17)/p+1
InChIKeyBDBJFMKYQANNFO-UHFFFAOYSA-O
XLogP-2.51
TPSA149.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 5-2.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium?
The IUPAC name of oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium (CID 90133688) is oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium.
What is the SMILES notation for oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium?
The canonical SMILES for oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium is O=C(CO[N+](=O)OCC(=O)NC1CCOC1=O)NC1CCOC1=O.
What is the InChIKey of oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium?
The InChIKey is BDBJFMKYQANNFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15N3O9/c16-9(13-7-1-3-21-11(7)18)5-23-15(20)24-6-10(17)14-8-2-4-22-12(8)19/h7-8H,1-6H2,(H-,13,14,16,17)/p+1.
What are the key properties of oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium?
oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium has a molecular weight of 346.27 g/mol, XLogP of -2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethoxy]azanium is sourced from PubChem (CID 90133688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).