2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid

C14H21NO10 — CID 70580984

IUPAC2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.OCCON(OCCO)OCCO
InChIInChI=1S/C8H6O4.C6H15NO6/c9-7(10)5-1-2-6(4-3-5)8(11)12;8-1-4-11-7(12-5-2-9)13-6-3-10/h1-4H,(H,9,10)(H,11,12);8-10H,1-6H2
InChIKeyMSMJXOPEIAUMEB-UHFFFAOYSA-N
MW363.32 g/mol
LogP-0.86
Rot. Bonds11

About 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid

2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid (PubChem CID 70580984) has the molecular formula C14H21NO10 and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid
PubChem CID70580984
Molecular FormulaC14H21NO10
Molecular Weight363.32 g/mol
Exact Mass363.12
IUPAC Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)cc1.OCCON(OCCO)OCCO
InChIInChI=1S/C8H6O4.C6H15NO6/c9-7(10)5-1-2-6(4-3-5)8(11)12;8-1-4-11-7(12-5-2-9)13-6-3-10/h1-4H,(H,9,10)(H,11,12);8-10H,1-6H2
InChIKeyMSMJXOPEIAUMEB-UHFFFAOYSA-N
XLogP-0.86
TPSA166.22 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid
CID 87903957
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid
CID 173440461
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid
CID 175831350
terephthalic acid
CID 160582437
ethane-1,2-diol;octane-1,8-diol;terephthalic acid
CID 67530978
4-formylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 175368400
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
lithium;copper;hydride;terephthalic acid
CID 175298386
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid?
The IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid (CID 70580984) is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid?
The canonical SMILES for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid is O=C(O)c1ccc(C(=O)O)cc1.OCCON(OCCO)OCCO.
What is the InChIKey of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid?
The InChIKey is MSMJXOPEIAUMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C6H15NO6/c9-7(10)5-1-2-6(4-3-5)8(11)12;8-1-4-11-7(12-5-2-9)13-6-3-10/h1-4H,(H,9,10)(H,11,12);8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid?
2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid has a molecular weight of 363.32 g/mol, XLogP of -0.86, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid is sourced from PubChem (CID 70580984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).