2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate

C11H23NO5 — CID 113427055

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate
SMILESCOCCOCCOCCOC(=O)CCCN
InChIInChI=1S/C11H23NO5/c1-14-5-6-15-7-8-16-9-10-17-11(13)3-2-4-12/h2-10,12H2,1H3
InChIKeyRNXHWDQHABSJBO-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.05
Rot. Bonds12

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate (PubChem CID 113427055) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate
PubChem CID113427055
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate
SMILESCOCCOCCOCCOC(=O)CCCN
InChIInChI=1S/C11H23NO5/c1-14-5-6-15-7-8-16-9-10-17-11(13)3-2-4-12/h2-10,12H2,1H3
InChIKeyRNXHWDQHABSJBO-UHFFFAOYSA-N
XLogP-0.05
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate (CID 113427055) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate is COCCOCCOCCOC(=O)CCCN.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate?
The InChIKey is RNXHWDQHABSJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-14-5-6-15-7-8-16-9-10-17-11(13)3-2-4-12/h2-10,12H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate has a molecular weight of 249.31 g/mol, XLogP of -0.05, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminobutanoate is sourced from PubChem (CID 113427055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).