ethyl 2-(dibutylamino)acetate

C12H25NO2 — CID 17537

IUPACethyl 2-(dibutylamino)acetate
SMILESCCCCN(CCCC)CC(=O)OCC
InChIInChI=1S/C12H25NO2/c1-4-7-9-13(10-8-5-2)11-12(14)15-6-3/h4-11H2,1-3H3
InChIKeyOMKBLDWHKBELJV-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.45
Rot. Bonds9

About ethyl 2-(dibutylamino)acetate

ethyl 2-(dibutylamino)acetate (PubChem CID 17537) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl 2-(dibutylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(dibutylamino)acetate
PubChem CID17537
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl 2-(dibutylamino)acetate
SMILESCCCCN(CCCC)CC(=O)OCC
InChIInChI=1S/C12H25NO2/c1-4-7-9-13(10-8-5-2)11-12(14)15-6-3/h4-11H2,1-3H3
InChIKeyOMKBLDWHKBELJV-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dibutylamino)acetate?
The IUPAC name of ethyl 2-(dibutylamino)acetate (CID 17537) is ethyl 2-(dibutylamino)acetate.
What is the SMILES notation for ethyl 2-(dibutylamino)acetate?
The canonical SMILES for ethyl 2-(dibutylamino)acetate is CCCCN(CCCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-(dibutylamino)acetate?
The InChIKey is OMKBLDWHKBELJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-9-13(10-8-5-2)11-12(14)15-6-3/h4-11H2,1-3H3.
What are the key properties of ethyl 2-(dibutylamino)acetate?
ethyl 2-(dibutylamino)acetate has a molecular weight of 215.34 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dibutylamino)acetate is sourced from PubChem (CID 17537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).