diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate

C9H21NO4 — CID 3014918

IUPACdiethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].CC[NH+](CC)CCO
InChIInChI=1S/C6H15NO.C3H6O3/c1-3-7(4-2)5-6-8;1-2(4)3(5)6/h8H,3-6H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyAGXJJJJSMPEISC-UHFFFAOYSA-N
MW207.27 g/mol
LogP-2.98
Rot. Bonds5

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

diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate (PubChem CID 3014918) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate.

Molecular Properties

Compound Namediethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate
PubChem CID3014918
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Namediethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].CC[NH+](CC)CCO
InChIInChI=1S/C6H15NO.C3H6O3/c1-3-7(4-2)5-6-8;1-2(4)3(5)6/h8H,3-6H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyAGXJJJJSMPEISC-UHFFFAOYSA-N
XLogP-2.98
TPSA85.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-2.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
Tris-(2-hydroxyethyl) ammonium lactate
CID 57357712
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

Frequently Asked Questions

What is the IUPAC name of diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate?
The IUPAC name of diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate (CID 3014918) is diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate.
What is the SMILES notation for diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate?
The canonical SMILES for diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate is CC(O)C(=O)[O-].CC[NH+](CC)CCO.
What is the InChIKey of diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate?
The InChIKey is AGXJJJJSMPEISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C3H6O3/c1-3-7(4-2)5-6-8;1-2(4)3(5)6/h8H,3-6H2,1-2H3;2,4H,1H3,(H,5,6).
What are the key properties of diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate?
diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate has a molecular weight of 207.27 g/mol, XLogP of -2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate is sourced from PubChem (CID 3014918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).