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

C10H21NO4 — CID 59397456

IUPACtert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCN
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h4-8,11H2,1-3H3
InChIKeyWFBRWOZVLSLRSZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.32
Rot. Bonds7

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

tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate (PubChem CID 59397456) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate
PubChem CID59397456
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCN
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h4-8,11H2,1-3H3
InChIKeyWFBRWOZVLSLRSZ-UHFFFAOYSA-N
XLogP0.32
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.32
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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Related Compounds

Tert-butyl 2-(2-aminoethoxy)acetate
CID 17817576
3-(2-(2-Aminoethoxy)ethoxy)propanoic acid t-butyl ester
CID 51340927
Azido-PEG2-CH2CO2tBu
CID 21348398
tert-Butyl 12-amino-4,7,10-trioxadodecanoate
CID 16218573
tert-Butyl 1-Amino-3,6,9,12-tetraoxapentadecan-15-oate
CID 51340928
Tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate hydrochloride
CID 131697880
NH2-PEG2-methyl acetate hydrochloride
CID 132145168
Tert-butyl 3-amino-2-(tert-butoxy)propanoate hydrochloride
CID 155820684
Methyl2-[(1-amino-2-methylpropan-2-yl)oxy]acetatehydrochloride
CID 165588362
Amino-PEG3-CH2CO2-t-butyl ester
CID 87214787
Azido-PEG3-CH2CO2-t-Bu
CID 92042270
2-[(1-Amino-2-methylpropan-2-yl)oxy]acetic acid
CID 65053619

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate (CID 59397456) is tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCN.
What is the InChIKey of tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate?
The InChIKey is WFBRWOZVLSLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h4-8,11H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate?
tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate has a molecular weight of 219.28 g/mol, XLogP of 0.32, 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 is sourced from PubChem (CID 59397456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).