ethyl 2-[butyl(methyl)amino]acetate

C9H19NO2 — CID 28878706

IUPACethyl 2-[butyl(methyl)amino]acetate
SMILESCCCCN(C)CC(=O)OCC
InChIInChI=1S/C9H19NO2/c1-4-6-7-10(3)8-9(11)12-5-2/h4-8H2,1-3H3
InChIKeyXLHKPYRYBRJEJI-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds6

About ethyl 2-[butyl(methyl)amino]acetate

ethyl 2-[butyl(methyl)amino]acetate (PubChem CID 28878706) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 2-[butyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[butyl(methyl)amino]acetate
PubChem CID28878706
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 2-[butyl(methyl)amino]acetate
SMILESCCCCN(C)CC(=O)OCC
InChIInChI=1S/C9H19NO2/c1-4-6-7-10(3)8-9(11)12-5-2/h4-8H2,1-3H3
InChIKeyXLHKPYRYBRJEJI-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[butyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[butyl(methyl)amino]acetate (CID 28878706) is ethyl 2-[butyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[butyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[butyl(methyl)amino]acetate is CCCCN(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[butyl(methyl)amino]acetate?
The InChIKey is XLHKPYRYBRJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-6-7-10(3)8-9(11)12-5-2/h4-8H2,1-3H3.
What are the key properties of ethyl 2-[butyl(methyl)amino]acetate?
ethyl 2-[butyl(methyl)amino]acetate has a molecular weight of 173.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[butyl(methyl)amino]acetate is sourced from PubChem (CID 28878706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).