tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate

C11H23NO4 — CID 51340927

IUPACtert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCN
InChIInChI=1S/C11H23NO4/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-9,12H2,1-3H3
InChIKeyXIVHGTLMLORWEP-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.71
Rot. Bonds8

About tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate

tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate (PubChem CID 51340927) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate
PubChem CID51340927
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOCCOCCN
InChIInChI=1S/C11H23NO4/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-9,12H2,1-3H3
InChIKeyXIVHGTLMLORWEP-UHFFFAOYSA-N
XLogP0.71
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.71
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 3-[2-(2-aminoethoxy)ethoxy]propanoate?
The IUPAC name of tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate (CID 51340927) is tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate?
The canonical SMILES for tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate is CC(C)(C)OC(=O)CCOCCOCCN.
What is the InChIKey of tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate?
The InChIKey is XIVHGTLMLORWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-9,12H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate?
tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate has a molecular weight of 233.31 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate is sourced from PubChem (CID 51340927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).