bis[2-(2-hydroxyethylamino)ethyl] propanedioate

C11H22N2O6 — CID 100927800

IUPACbis[2-(2-hydroxyethylamino)ethyl] propanedioate
SMILESO=C(CC(=O)OCCNCCO)OCCNCCO
InChIInChI=1S/C11H22N2O6/c14-5-1-12-3-7-18-10(16)9-11(17)19-8-4-13-2-6-15/h12-15H,1-9H2
InChIKeyGXGOVUGTIURERA-UHFFFAOYSA-N
MW278.30 g/mol
LogP-2.37
Rot. Bonds12

About bis[2-(2-hydroxyethylamino)ethyl] propanedioate

bis[2-(2-hydroxyethylamino)ethyl] propanedioate (PubChem CID 100927800) has the molecular formula C11H22N2O6 and a molecular weight of 278.30 g/mol. Its IUPAC name is bis[2-(2-hydroxyethylamino)ethyl] propanedioate.

Molecular Properties

Compound Namebis[2-(2-hydroxyethylamino)ethyl] propanedioate
PubChem CID100927800
Molecular FormulaC11H22N2O6
Molecular Weight278.30 g/mol
Exact Mass278.15
IUPAC Namebis[2-(2-hydroxyethylamino)ethyl] propanedioate
SMILESO=C(CC(=O)OCCNCCO)OCCNCCO
InChIInChI=1S/C11H22N2O6/c14-5-1-12-3-7-18-10(16)9-11(17)19-8-4-13-2-6-15/h12-15H,1-9H2
InChIKeyGXGOVUGTIURERA-UHFFFAOYSA-N
XLogP-2.37
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)ethyl hydrogen carbonate
CID 23179916
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
2-(2-hydroxyethylamino)ethanol;sulfur dioxide
CID 6454530
propyl 2-(2-hydroxyethylamino)acetate
CID 82358534
2-(2-prop-1-en-2-yloxyethylamino)ethanol
CID 145199860
2-(2-hydroxyethylamino)ethyl N-(2-trimethylsilylethyl)carbamate
CID 168955519
2-(2-acetyloxyethylamino)ethyl propanoate
CID 89063428
heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369
nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylamino)ethanol
CID 19899992
2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-hydroxyethylamino)ethyl] propanedioate?
The IUPAC name of bis[2-(2-hydroxyethylamino)ethyl] propanedioate (CID 100927800) is bis[2-(2-hydroxyethylamino)ethyl] propanedioate.
What is the SMILES notation for bis[2-(2-hydroxyethylamino)ethyl] propanedioate?
The canonical SMILES for bis[2-(2-hydroxyethylamino)ethyl] propanedioate is O=C(CC(=O)OCCNCCO)OCCNCCO.
What is the InChIKey of bis[2-(2-hydroxyethylamino)ethyl] propanedioate?
The InChIKey is GXGOVUGTIURERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6/c14-5-1-12-3-7-18-10(16)9-11(17)19-8-4-13-2-6-15/h12-15H,1-9H2.
What are the key properties of bis[2-(2-hydroxyethylamino)ethyl] propanedioate?
bis[2-(2-hydroxyethylamino)ethyl] propanedioate has a molecular weight of 278.30 g/mol, XLogP of -2.37, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-hydroxyethylamino)ethyl] propanedioate is sourced from PubChem (CID 100927800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).