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

C9H21NO6 — CID 73416324

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid
SMILESC[C@H](O)C(=O)O.OCCN(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)/t;2-/m.0/s1
InChIKeyRJQQOKKINHMXIM-WNQIDUERSA-N
MW239.27 g/mol
LogP-2.28
Rot. Bonds7

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

2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid (PubChem CID 73416324) has the molecular formula C9H21NO6 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid
PubChem CID73416324
Molecular FormulaC9H21NO6
Molecular Weight239.27 g/mol
Exact Mass239.14
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid
SMILESC[C@H](O)C(=O)O.OCCN(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)/t;2-/m.0/s1
InChIKeyRJQQOKKINHMXIM-WNQIDUERSA-N
XLogP-2.28
TPSA121.46 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 ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid (CID 73416324) is 2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid is C[C@H](O)C(=O)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid?
The InChIKey is RJQQOKKINHMXIM-WNQIDUERSA-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)/t;2-/m.0/s1.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid has a molecular weight of 239.27 g/mol, XLogP of -2.28, 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;(2S)-2-hydroxypropanoic acid is sourced from PubChem (CID 73416324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).