2-hydroxypropanoate;tris(2-hydroxyethyl)azanium

C9H21NO6 — CID 57357712

IUPAC2-hydroxypropanoate;tris(2-hydroxyethyl)azanium
SMILESCC(O)C(=O)[O-].OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C3H6O3/c8-4-1-7(2-5-9)3-6-10;1-2(4)3(5)6/h8-10H,1-6H2;2,4H,1H3,(H,5,6)
InChIKeyRJQQOKKINHMXIM-UHFFFAOYSA-N
MW239.27 g/mol
LogP-5.03
Rot. Bonds7

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

2-hydroxypropanoate;tris(2-hydroxyethyl)azanium (PubChem CID 57357712) has the molecular formula C9H21NO6 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxypropanoate;tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name2-hydroxypropanoate;tris(2-hydroxyethyl)azanium
PubChem CID57357712
Molecular FormulaC9H21NO6
Molecular Weight239.27 g/mol
Exact Mass239.14
IUPAC Name2-hydroxypropanoate;tris(2-hydroxyethyl)azanium
SMILESCC(O)C(=O)[O-].OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C3H6O3/c8-4-1-7(2-5-9)3-6-10;1-2(4)3(5)6/h8-10H,1-6H2;2,4H,1H3,(H,5,6)
InChIKeyRJQQOKKINHMXIM-UHFFFAOYSA-N
XLogP-5.03
TPSA125.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-5.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Triethanolamine lactate
CID 159890
2-Propanol, 1,1'-iminobis-, acetate (1:1)
CID 23364159
3-[(3-Amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid
CID 11948751
3-(Tert-butylamino)propane-1,2-diol;oxalic acid
CID 44371415
Metoprolol IMpurity 11
CID 44371436
Choline lactate
CID 10313496
2-Hydroxyacetate;tris(2-hydroxyethyl)azanium
CID 53470594
Bis(2-hydroxyethyl)-(2-hydroxypropyl)ammonium acetate
CID 91996815
Tris(2-hydroxyethyl)ammonium lactate
CID 73416324
2-(2-Hydroxyethylamino)ethanol;2-hydroxypropanoic acid
CID 11579279
Choline-glycolate
CID 57370633
Bis-(2-hydroxyethyl) ammonium lactate
CID 87299300

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoate;tris(2-hydroxyethyl)azanium?
The IUPAC name of 2-hydroxypropanoate;tris(2-hydroxyethyl)azanium (CID 57357712) is 2-hydroxypropanoate;tris(2-hydroxyethyl)azanium.
What is the SMILES notation for 2-hydroxypropanoate;tris(2-hydroxyethyl)azanium?
The canonical SMILES for 2-hydroxypropanoate;tris(2-hydroxyethyl)azanium is CC(O)C(=O)[O-].OCC[NH+](CCO)CCO.
What is the InChIKey of 2-hydroxypropanoate;tris(2-hydroxyethyl)azanium?
The InChIKey is RJQQOKKINHMXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C3H6O3/c8-4-1-7(2-5-9)3-6-10;1-2(4)3(5)6/h8-10H,1-6H2;2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoate;tris(2-hydroxyethyl)azanium?
2-hydroxypropanoate;tris(2-hydroxyethyl)azanium has a molecular weight of 239.27 g/mol, XLogP of -5.03, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoate;tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 57357712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).