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

C12H25NO5 — CID 87214787

IUPACtert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCN
InChIInChI=1S/C12H25NO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10,13H2,1-3H3
InChIKeyOTTHWLFOQWLZKB-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.34
Rot. Bonds10

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

tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate (PubChem CID 87214787) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate
PubChem CID87214787
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Nametert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCN
InChIInChI=1S/C12H25NO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10,13H2,1-3H3
InChIKeyOTTHWLFOQWLZKB-UHFFFAOYSA-N
XLogP0.34
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate (CID 87214787) is tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCOCCN.
What is the InChIKey of tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate?
The InChIKey is OTTHWLFOQWLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10,13H2,1-3H3.
What are the key properties of tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate has a molecular weight of 263.33 g/mol, XLogP of 0.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 87214787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).