2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate

C11H21NO6 — CID 176791214

IUPAC2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate
SMILESCC(=O)OCCOCC(CN)OCCOC(C)=O
InChIInChI=1S/C11H21NO6/c1-9(13)16-4-3-15-8-11(7-12)18-6-5-17-10(2)14/h11H,3-8,12H2,1-2H3
InChIKeyAURDOGMVDUTGOY-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.53
Rot. Bonds10

About 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate

2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate (PubChem CID 176791214) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate
PubChem CID176791214
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate
SMILESCC(=O)OCCOCC(CN)OCCOC(C)=O
InChIInChI=1S/C11H21NO6/c1-9(13)16-4-3-15-8-11(7-12)18-6-5-17-10(2)14/h11H,3-8,12H2,1-2H3
InChIKeyAURDOGMVDUTGOY-UHFFFAOYSA-N
XLogP-0.53
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
2-[2-(2-acetyloxyethoxy)-3-hydroxypropoxy]ethyl acetate
CID 176616060
[3-propoxy-2-(2-propoxyethoxy)propyl] acetate
CID 162455221
2-(2-methylpropoxy)ethyl acetate
CID 520944
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
2-[2,3-bis[2-(2-hydroxypropanoyloxy)ethoxy]propoxy]ethyl 2-hydroxypropanoate
CID 164738437
2-[2-[2-[3-[2,3-bis[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]propoxy]-2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 123639190
2-(2-ethoxyethoxy)pentyl acetate
CID 87309415
2,3-dipropoxypropyl acetate;ethylphosphane;methane
CID 158965859
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-(1-chloroethoxy)ethyl acetate
CID 10888290

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate?
The IUPAC name of 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate (CID 176791214) is 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate?
The canonical SMILES for 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate is CC(=O)OCCOCC(CN)OCCOC(C)=O.
What is the InChIKey of 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate?
The InChIKey is AURDOGMVDUTGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6/c1-9(13)16-4-3-15-8-11(7-12)18-6-5-17-10(2)14/h11H,3-8,12H2,1-2H3.
What are the key properties of 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate?
2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate has a molecular weight of 263.29 g/mol, XLogP of -0.53, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate is sourced from PubChem (CID 176791214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).