2-hydroxyacetate;tris(2-hydroxyethyl)azanium

C8H19NO6 — CID 53470594

IUPAC2-hydroxyacetate;tris(2-hydroxyethyl)azanium
SMILESO=C([O-])CO.OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C2H4O3/c8-4-1-7(2-5-9)3-6-10;3-1-2(4)5/h8-10H,1-6H2;3H,1H2,(H,4,5)
InChIKeyPQJDLYIRTTVMCS-UHFFFAOYSA-N
MW225.24 g/mol
LogP-5.42
Rot. Bonds7

About 2-hydroxyacetate;tris(2-hydroxyethyl)azanium

2-hydroxyacetate;tris(2-hydroxyethyl)azanium (PubChem CID 53470594) has the molecular formula C8H19NO6 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-hydroxyacetate;tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name2-hydroxyacetate;tris(2-hydroxyethyl)azanium
PubChem CID53470594
Molecular FormulaC8H19NO6
Molecular Weight225.24 g/mol
Exact Mass225.12
IUPAC Name2-hydroxyacetate;tris(2-hydroxyethyl)azanium
SMILESO=C([O-])CO.OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C2H4O3/c8-4-1-7(2-5-9)3-6-10;3-1-2(4)5/h8-10H,1-6H2;3H,1H2,(H,4,5)
InChIKeyPQJDLYIRTTVMCS-UHFFFAOYSA-N
XLogP-5.42
TPSA125.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-5.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Acetic acid, 2-hydroxy-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CID 176386
Tri-(2-hydroxyethyl) ammonium acetate
CID 24180695
Tris-(2-hydroxyethyl) ammonium lactate
CID 57357712
Ethanol, 2,2'-iminobis-, ethanedioate (1:?)
CID 169105
Bis-(2-hydroxyethyl) methylammonium acetate
CID 20449314
Choline-glycolate
CID 57370633
Bis-(2-hydroxyethyl) ammonium lactate
CID 87299300
Bis-(2-hydroxyethyl) methylammonium lactate
CID 154724081
2-Hydroxyethyl(dimethyl)azanium;2-hydroxypropanoate
CID 71438552
Bis(2-hydroxylethyl)methylammonium propionate
CID 129878133
Diethyl(2-hydroxyethyl)azanium acetate
CID 3014772
Diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate
CID 3014918

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetate;tris(2-hydroxyethyl)azanium?
The IUPAC name of 2-hydroxyacetate;tris(2-hydroxyethyl)azanium (CID 53470594) is 2-hydroxyacetate;tris(2-hydroxyethyl)azanium.
What is the SMILES notation for 2-hydroxyacetate;tris(2-hydroxyethyl)azanium?
The canonical SMILES for 2-hydroxyacetate;tris(2-hydroxyethyl)azanium is O=C([O-])CO.OCC[NH+](CCO)CCO.
What is the InChIKey of 2-hydroxyacetate;tris(2-hydroxyethyl)azanium?
The InChIKey is PQJDLYIRTTVMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C2H4O3/c8-4-1-7(2-5-9)3-6-10;3-1-2(4)5/h8-10H,1-6H2;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetate;tris(2-hydroxyethyl)azanium?
2-hydroxyacetate;tris(2-hydroxyethyl)azanium has a molecular weight of 225.24 g/mol, XLogP of -5.42, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetate;tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 53470594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).