3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate

C11H21NO3 — CID 78863396

IUPAC3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate
SMILESCC(=O)N(C)CC(=O)OCCC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(13)12(5)8-10(14)15-7-6-11(2,3)4/h6-8H2,1-5H3
InChIKeyJGSXBIQLXZASHT-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.44
Rot. Bonds4

About 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate

3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate (PubChem CID 78863396) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate.

Molecular Properties

Compound Name3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate
PubChem CID78863396
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate
SMILESCC(=O)N(C)CC(=O)OCCC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(13)12(5)8-10(14)15-7-6-11(2,3)4/h6-8H2,1-5H3
InChIKeyJGSXBIQLXZASHT-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbutyl 2-[acetyl(methyl)amino]acetate
CID 78863232
3,3-dimethylbutyl 3-oxobutanoate
CID 13081174
ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
CID 55207593
2-anilinoethyl 2-[acetyl(methyl)amino]acetate
CID 70658920
4-O-(3,3-dimethylbutyl) 1-O-methyl butanedioate
CID 59121663
2-(3,3-dimethylbutoxy)-2-oxoethanesulfinate
CID 90949582
4-O-tert-butyl 1-O-(3,3-dimethylbutyl) butanedioate
CID 59660279
N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide
CID 58992304
trimethylsilyl 2-[acetyl(methyl)amino]acetate
CID 91749605
3,3-dimethylbutyl 2-amino-2-methylpropanoate
CID 66227109
3-(3,3-dimethylbutoxy)-3-oxopropane-1-sulfinic acid
CID 91015987
3,3-dimethylbutyl 3-(tert-butylamino)propanoate
CID 66224635

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate?
The IUPAC name of 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate (CID 78863396) is 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate.
What is the SMILES notation for 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate?
The canonical SMILES for 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate is CC(=O)N(C)CC(=O)OCCC(C)(C)C.
What is the InChIKey of 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate?
The InChIKey is JGSXBIQLXZASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(13)12(5)8-10(14)15-7-6-11(2,3)4/h6-8H2,1-5H3.
What are the key properties of 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate?
3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate is sourced from PubChem (CID 78863396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).