azane;carbonic acid;ethanol

C3H11NO4 — CID 173096974

IUPACazane;carbonic acid;ethanol
SMILESCCO.N.O=C(O)O
InChIInChI=1S/C2H6O.CH2O3.H3N/c1-2-3;2-1(3)4;/h3H,2H2,1H3;(H2,2,3,4);1H3
InChIKeyQHFIXIVFAWSLNS-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.38
Rot. Bonds

About azane;carbonic acid;ethanol

azane;carbonic acid;ethanol (PubChem CID 173096974) has the molecular formula C3H11NO4 and a molecular weight of 125.12 g/mol. Its IUPAC name is azane;carbonic acid;ethanol.

Molecular Properties

Compound Nameazane;carbonic acid;ethanol
PubChem CID173096974
Molecular FormulaC3H11NO4
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Nameazane;carbonic acid;ethanol
SMILESCCO.N.O=C(O)O
InChIInChI=1S/C2H6O.CH2O3.H3N/c1-2-3;2-1(3)4;/h3H,2H2,1H3;(H2,2,3,4);1H3
InChIKeyQHFIXIVFAWSLNS-UHFFFAOYSA-N
XLogP0.38
TPSA112.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;ethanol?
The IUPAC name of azane;carbonic acid;ethanol (CID 173096974) is azane;carbonic acid;ethanol.
What is the SMILES notation for azane;carbonic acid;ethanol?
The canonical SMILES for azane;carbonic acid;ethanol is CCO.N.O=C(O)O.
What is the InChIKey of azane;carbonic acid;ethanol?
The InChIKey is QHFIXIVFAWSLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CH2O3.H3N/c1-2-3;2-1(3)4;/h3H,2H2,1H3;(H2,2,3,4);1H3.
What are the key properties of azane;carbonic acid;ethanol?
azane;carbonic acid;ethanol has a molecular weight of 125.12 g/mol, XLogP of 0.38, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;ethanol is sourced from PubChem (CID 173096974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).