azanium;ethane-1,1-diol;hydroxide

C2H11NO3 — CID 159460124

IUPACazanium;ethane-1,1-diol;hydroxide
SMILESCC(O)O.[NH4+].[OH-]
InChIInChI=1S/C2H6O2.H3N.H2O/c1-2(3)4;;/h2-4H,1H3;1H3;1H2
InChIKeyLUMIBOJVNTWGHI-UHFFFAOYSA-N
MW97.11 g/mol
LogP-0.48
Rot. Bonds

About azanium;ethane-1,1-diol;hydroxide

azanium;ethane-1,1-diol;hydroxide (PubChem CID 159460124) has the molecular formula C2H11NO3 and a molecular weight of 97.11 g/mol. Its IUPAC name is azanium;ethane-1,1-diol;hydroxide.

Molecular Properties

Compound Nameazanium;ethane-1,1-diol;hydroxide
PubChem CID159460124
Molecular FormulaC2H11NO3
Molecular Weight97.11 g/mol
Exact Mass97.07
IUPAC Nameazanium;ethane-1,1-diol;hydroxide
SMILESCC(O)O.[NH4+].[OH-]
InChIInChI=1S/C2H6O2.H3N.H2O/c1-2(3)4;;/h2-4H,1H3;1H3;1H2
InChIKeyLUMIBOJVNTWGHI-UHFFFAOYSA-N
XLogP-0.48
TPSA106.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.11
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

chromium;tetrakis(ethane-1,1-diol)
CID 59348393
ethane-1,1-diol;hydrate
CID 86643495
hexakis(ethane-1,1-diol);lanthanum;tetrahydrate
CID 5254960
hexakis(ethane-1,1-diol);zinc;hydrate
CID 177286593
sodium;propan-2-ol;hydroxide
CID 87652802
bis(dibromorhenium);bis(ethane-1,1-diol)
CID 5231293
tetrakis(propan-2-ol);thulium
CID 174050117
holmium;tris(propan-2-ol)
CID 102601028
ethane;tetrakis(propan-2-ol)
CID 174681393
tetrakis(propan-2-ol);samarium
CID 175326578
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
Indium(III) isopropoxide
CID 159258374

Frequently Asked Questions

What is the IUPAC name of azanium;ethane-1,1-diol;hydroxide?
The IUPAC name of azanium;ethane-1,1-diol;hydroxide (CID 159460124) is azanium;ethane-1,1-diol;hydroxide.
What is the SMILES notation for azanium;ethane-1,1-diol;hydroxide?
The canonical SMILES for azanium;ethane-1,1-diol;hydroxide is CC(O)O.[NH4+].[OH-].
What is the InChIKey of azanium;ethane-1,1-diol;hydroxide?
The InChIKey is LUMIBOJVNTWGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.H3N.H2O/c1-2(3)4;;/h2-4H,1H3;1H3;1H2.
What are the key properties of azanium;ethane-1,1-diol;hydroxide?
azanium;ethane-1,1-diol;hydroxide has a molecular weight of 97.11 g/mol, XLogP of -0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethane-1,1-diol;hydroxide is sourced from PubChem (CID 159460124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).