amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate

C12H25NO6 — CID 54098191

IUPACamino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCOCCOCCOCCOC(CC)C(=O)ON
InChIInChI=1S/C12H25NO6/c1-3-11(12(14)19-13)18-10-9-17-8-7-16-6-5-15-4-2/h11H,3-10,13H2,1-2H3
InChIKeyMYQHEWJKHWEDPM-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.27
Rot. Bonds13

About amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate

amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate (PubChem CID 54098191) has the molecular formula C12H25NO6 and a molecular weight of 279.33 g/mol. Its IUPAC name is amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Nameamino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
PubChem CID54098191
Molecular FormulaC12H25NO6
Molecular Weight279.33 g/mol
Exact Mass279.17
IUPAC Nameamino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCOCCOCCOCCOC(CC)C(=O)ON
InChIInChI=1S/C12H25NO6/c1-3-11(12(14)19-13)18-10-9-17-8-7-16-6-5-15-4-2/h11H,3-10,13H2,1-2H3
InChIKeyMYQHEWJKHWEDPM-UHFFFAOYSA-N
XLogP0.27
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 2-ethoxybutanoate
CID 88671888
2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid
CID 88671887
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
methyl 2-(2-ethoxyethoxy)propanoate
CID 61234478
1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
2-ethoxybutanoyl 2-ethoxybutanoate
CID 87083983
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate
CID 23509236

Frequently Asked Questions

What is the IUPAC name of amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate?
The IUPAC name of amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate (CID 54098191) is amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate.
What is the SMILES notation for amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate?
The canonical SMILES for amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate is CCOCCOCCOCCOC(CC)C(=O)ON.
What is the InChIKey of amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate?
The InChIKey is MYQHEWJKHWEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO6/c1-3-11(12(14)19-13)18-10-9-17-8-7-16-6-5-15-4-2/h11H,3-10,13H2,1-2H3.
What are the key properties of amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate?
amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate has a molecular weight of 279.33 g/mol, XLogP of 0.27, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate is sourced from PubChem (CID 54098191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).