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

C7H17NO9 — CID 87903957

IUPAC2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid
SMILESO=C(O)O.OCCON(OCCO)OCCO
InChIInChI=1S/C6H15NO6.CH2O3/c8-1-4-11-7(12-5-2-9)13-6-3-10;2-1(3)4/h8-10H,1-6H2;(H2,2,3,4)
InChIKeyFARGLKFCRFIXEJ-UHFFFAOYSA-N
MW259.21 g/mol
LogP-1.72
Rot. Bonds9

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

2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid (PubChem CID 87903957) has the molecular formula C7H17NO9 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid
PubChem CID87903957
Molecular FormulaC7H17NO9
Molecular Weight259.21 g/mol
Exact Mass259.09
IUPAC Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid
SMILESO=C(O)O.OCCON(OCCO)OCCO
InChIInChI=1S/C6H15NO6.CH2O3/c8-1-4-11-7(12-5-2-9)13-6-3-10;2-1(3)4/h8-10H,1-6H2;(H2,2,3,4)
InChIKeyFARGLKFCRFIXEJ-UHFFFAOYSA-N
XLogP-1.72
TPSA149.15 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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;propanedioic acid
CID 87739417
2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid
CID 70580984
CID 173190602
CID 173190602
2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-sulfooxybenzoic acid
CID 175437149
2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 87879074
benzene;2-[chloro(2-hydroxyethoxy)amino]oxyethanol
CID 174400425
2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate
CID 174843406
2-(diaminoamino)oxyethanol
CID 89334158
2-[fluoro(2-hydroxyethoxy)amino]oxyethanol
CID 175332230
2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate
CID 173390920
2-[2-hydroxyethoxy(methyl)amino]oxyethanol;hydrofluoride
CID 173050654
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid?
The IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid (CID 87903957) is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid?
The canonical SMILES for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid is O=C(O)O.OCCON(OCCO)OCCO.
What is the InChIKey of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid?
The InChIKey is FARGLKFCRFIXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6.CH2O3/c8-1-4-11-7(12-5-2-9)13-6-3-10;2-1(3)4/h8-10H,1-6H2;(H2,2,3,4).
What are the key properties of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid?
2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid has a molecular weight of 259.21 g/mol, XLogP of -1.72, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid is sourced from PubChem (CID 87903957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).