[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate

C11H21NO3 — CID 137320880

IUPAC[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate
SMILESCC(=O)OC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(15-8(3)13)10(14)12-11(4,5)6/h7,9H,1-6H3,(H,12,14)
InChIKeyBGIUOQXZBQAQJI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.49
Rot. Bonds3

About [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate

[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate (PubChem CID 137320880) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate.

Molecular Properties

Compound Name[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate
PubChem CID137320880
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate
SMILESCC(=O)OC(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(15-8(3)13)10(14)12-11(4,5)6/h7,9H,1-6H3,(H,12,14)
InChIKeyBGIUOQXZBQAQJI-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate?
The IUPAC name of [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate (CID 137320880) is [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate.
What is the SMILES notation for [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate?
The canonical SMILES for [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate is CC(=O)OC(C(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate?
The InChIKey is BGIUOQXZBQAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)9(15-8(3)13)10(14)12-11(4,5)6/h7,9H,1-6H3,(H,12,14).
What are the key properties of [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate?
[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate has a molecular weight of 215.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] acetate is sourced from PubChem (CID 137320880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).