2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid

C13H21NO6 — CID 25213

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid
SMILESO=C(O)c1ccccc1O.OCCN(CCO)CCO
InChIInChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2
InChIKeyUEVAMYPIMMOEFW-UHFFFAOYSA-N
MW287.31 g/mol
LogP-0.64
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid

2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid (PubChem CID 25213) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid
PubChem CID25213
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid
SMILESO=C(O)c1ccccc1O.OCCN(CCO)CCO
InChIInChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2
InChIKeyUEVAMYPIMMOEFW-UHFFFAOYSA-N
XLogP-0.64
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Choline Salicylate
CID 54686350
Choline Magnesium Trisalicylate
CID 54682045
Xenysalate
CID 21720
Salicylic acid monoethanolamine
CID 3085170
(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
Morpholine salicylate
CID 120183
Diethylamine salicylate
CID 9837223
Betaine salicylate
CID 71587021
3-(Diethylamino)-1-(2-hydroxyphenyl)-2-propen-1-one
CID 688259
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-hydroxybenzoate
CID 2646335
[3-(Tert-butylamino)-2-hydroxypropyl] 2-hydroxybenzoate
CID 44264056
Azane;2-hydroxybenzoic acid
CID 10716

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid (CID 25213) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid is O=C(O)c1ccccc1O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid?
The InChIKey is UEVAMYPIMMOEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid has a molecular weight of 287.31 g/mol, XLogP of -0.64, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxybenzoic acid is sourced from PubChem (CID 25213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).