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

C9H19NO10 — CID 87739417

IUPAC2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid
SMILESO=C(O)CC(=O)O.OCCON(OCCO)OCCO
InChIInChI=1S/C6H15NO6.C3H4O4/c8-1-4-11-7(12-5-2-9)13-6-3-10;4-2(5)1-3(6)7/h8-10H,1-6H2;1H2,(H,4,5)(H,6,7)
InChIKeyWDPICVVUJUJNQP-UHFFFAOYSA-N
MW301.25 g/mol
LogP-2.39
Rot. Bonds11

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

2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid (PubChem CID 87739417) has the molecular formula C9H19NO10 and a molecular weight of 301.25 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid
PubChem CID87739417
Molecular FormulaC9H19NO10
Molecular Weight301.25 g/mol
Exact Mass301.10
IUPAC Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid
SMILESO=C(O)CC(=O)O.OCCON(OCCO)OCCO
InChIInChI=1S/C6H15NO6.C3H4O4/c8-1-4-11-7(12-5-2-9)13-6-3-10;4-2(5)1-3(6)7/h8-10H,1-6H2;1H2,(H,4,5)(H,6,7)
InChIKeyWDPICVVUJUJNQP-UHFFFAOYSA-N
XLogP-2.39
TPSA166.22 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 5-2.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis(2-hydroxyethoxy)amino]oxyethanol;carbonic acid
CID 87903957
2-[bis(2-hydroxyethoxy)amino]oxyethanol;terephthalic acid
CID 70580984
CID 173190602
CID 173190602
2-[[bis(2-hydroxyethoxy)amino]oxy-(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 87879074
strontium;hydride;propanedioic acid;hydrate
CID 173080551
CID 87073401
CID 87073401
propanedioic acid;tungsten
CID 22081019
propanedioic acid;terbium
CID 87785742
methanol;propanedioic acid
CID 87156965
calcium;propanedioic acid;dichloride
CID 172710665
propanedioic acid;hydrate;dihydrochloride
CID 173455263
ethene;propanedioic acid
CID 159912302

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid?
The IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid (CID 87739417) is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid?
The canonical SMILES for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid is O=C(O)CC(=O)O.OCCON(OCCO)OCCO.
What is the InChIKey of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid?
The InChIKey is WDPICVVUJUJNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6.C3H4O4/c8-1-4-11-7(12-5-2-9)13-6-3-10;4-2(5)1-3(6)7/h8-10H,1-6H2;1H2,(H,4,5)(H,6,7).
What are the key properties of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid?
2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid has a molecular weight of 301.25 g/mol, XLogP of -2.39, 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;propanedioic acid is sourced from PubChem (CID 87739417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).