2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate

C13H25NO5 — CID 21027134

IUPAC2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate
SMILESCOCCOCCOC(=O)CCC(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-13(2,3)14-11(15)5-6-12(16)19-10-9-18-8-7-17-4/h5-10H2,1-4H3,(H,14,15)
InChIKeyZBXZFZYGMPFWFH-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.89
Rot. Bonds9

About 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate

2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate (PubChem CID 21027134) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate
PubChem CID21027134
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate
SMILESCOCCOCCOC(=O)CCC(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-13(2,3)14-11(15)5-6-12(16)19-10-9-18-8-7-17-4/h5-10H2,1-4H3,(H,14,15)
InChIKeyZBXZFZYGMPFWFH-UHFFFAOYSA-N
XLogP0.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.89
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 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate (CID 21027134) is 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate is COCCOCCOC(=O)CCC(=O)NC(C)(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate?
The InChIKey is ZBXZFZYGMPFWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-13(2,3)14-11(15)5-6-12(16)19-10-9-18-8-7-17-4/h5-10H2,1-4H3,(H,14,15).
What are the key properties of 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate?
2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate has a molecular weight of 275.34 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate is sourced from PubChem (CID 21027134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).