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

C20H36N2O10 — CID 173440461

IUPACbis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/C8H6O4.2C6H15NO3/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*8-4-1-7(2-5-9)3-6-10/h1-4H,(H,9,10)(H,11,12);2*8-10H,1-6H2
InChIKeyHPESPRHDEIQWOF-UHFFFAOYSA-N
MW464.51 g/mol
LogP-2.39
Rot. Bonds14

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

bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid (PubChem CID 173440461) has the molecular formula C20H36N2O10 and a molecular weight of 464.51 g/mol. Its IUPAC name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid.

Molecular Properties

Compound Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid
PubChem CID173440461
Molecular FormulaC20H36N2O10
Molecular Weight464.51 g/mol
Exact Mass464.24
IUPAC Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/C8H6O4.2C6H15NO3/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*8-4-1-7(2-5-9)3-6-10/h1-4H,(H,9,10)(H,11,12);2*8-10H,1-6H2
InChIKeyHPESPRHDEIQWOF-UHFFFAOYSA-N
XLogP-2.39
TPSA202.46 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.51
LogP ≤ 5-2.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

4-chlorobenzoic acid;2-(diethylamino)ethanol;hydrochloride
CID 21150232
terephthalic acid
CID 160582437
ethane-1,2-diol;octane-1,8-diol;terephthalic acid
CID 67530978
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 107480835
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
4-[2-hydroxyethyl(prop-2-enoyl)amino]benzoic acid
CID 60832777
2-(2-hydroxyethylamino)ethanol;terephthalic acid
CID 70636860
butanedioic acid;propane-1,3-diol;terephthalic acid
CID 163992644
4-(2-hydroxyethyl)benzoic acid
CID 506062

Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid?
The IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid (CID 173440461) is bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid.
What is the SMILES notation for bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid?
The canonical SMILES for bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid is O=C(O)c1ccc(C(=O)O)cc1.OCCN(CCO)CCO.OCCN(CCO)CCO.
What is the InChIKey of bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid?
The InChIKey is HPESPRHDEIQWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2C6H15NO3/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*8-4-1-7(2-5-9)3-6-10/h1-4H,(H,9,10)(H,11,12);2*8-10H,1-6H2.
What are the key properties of bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid?
bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid has a molecular weight of 464.51 g/mol, XLogP of -2.39, 14 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid is sourced from PubChem (CID 173440461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).