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

C16H36N2O11 — CID 173189047

IUPACbis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/2C6H15NO3.C4H6O5/c2*8-4-1-7(2-5-9)3-6-10;5-2(4(8)9)1-3(6)7/h2*8-10H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyWCDDDRJHCFEFJF-UHFFFAOYSA-N
MW432.47 g/mol
LogP-4.56
Rot. Bonds15

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

bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid (PubChem CID 173189047) has the molecular formula C16H36N2O11 and a molecular weight of 432.47 g/mol. Its IUPAC name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid.

Molecular Properties

Compound Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid
PubChem CID173189047
Molecular FormulaC16H36N2O11
Molecular Weight432.47 g/mol
Exact Mass432.23
IUPAC Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/2C6H15NO3.C4H6O5/c2*8-4-1-7(2-5-9)3-6-10;5-2(4(8)9)1-3(6)7/h2*8-10H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyWCDDDRJHCFEFJF-UHFFFAOYSA-N
XLogP-4.56
TPSA222.69 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500432.47
LogP ≤ 5-4.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

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Related Compounds

N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid
CID 87904263
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
cobalt;2-hydroxybutanedioic acid
CID 87544145
2-hydroxybutanedioic acid;iron
CID 174146167
N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid
CID 87903997
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
2-hydroxybutanedioic acid;2-(2-hydroxyethylamino)ethanol
CID 23460146
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium
CID 87438440
2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174790415

Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid?
The IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid (CID 173189047) is bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid.
What is the SMILES notation for bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid?
The canonical SMILES for bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid is O=C(O)CC(O)C(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO.
What is the InChIKey of bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid?
The InChIKey is WCDDDRJHCFEFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO3.C4H6O5/c2*8-4-1-7(2-5-9)3-6-10;5-2(4(8)9)1-3(6)7/h2*8-10H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid?
bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid has a molecular weight of 432.47 g/mol, XLogP of -4.56, 15 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-hydroxybutanedioic acid is sourced from PubChem (CID 173189047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).