tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride

C10H22ClNO4 — CID 131697880

IUPACtert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride
SMILESCC(C)(C)OC(=O)COCCOCCN.Cl
InChIInChI=1S/C10H21NO4.ClH/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11;/h4-8,11H2,1-3H3;1H
InChIKeyXSFSGLLUAPLBAX-UHFFFAOYSA-N
MW255.74 g/mol
LogP0.74
Rot. Bonds7

About tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride

tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride (PubChem CID 131697880) has the molecular formula C10H22ClNO4 and a molecular weight of 255.74 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride
PubChem CID131697880
Molecular FormulaC10H22ClNO4
Molecular Weight255.74 g/mol
Exact Mass255.12
IUPAC Nametert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride
SMILESCC(C)(C)OC(=O)COCCOCCN.Cl
InChIInChI=1S/C10H21NO4.ClH/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11;/h4-8,11H2,1-3H3;1H
InChIKeyXSFSGLLUAPLBAX-UHFFFAOYSA-N
XLogP0.74
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride?
The IUPAC name of tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride (CID 131697880) is tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride.
What is the SMILES notation for tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride?
The canonical SMILES for tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride is CC(C)(C)OC(=O)COCCOCCN.Cl.
What is the InChIKey of tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride?
The InChIKey is XSFSGLLUAPLBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4.ClH/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11;/h4-8,11H2,1-3H3;1H.
What are the key properties of tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride?
tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate;hydrochloride is sourced from PubChem (CID 131697880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).