[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate

C9H16N2O4 — CID 2108654

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C9H16N2O4/c1-6(12)15-5-7(13)10-8(14)11-9(2,3)4/h5H2,1-4H3,(H2,10,11,13,14)
InChIKeyDBJISTSGXGXPJK-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.17
Rot. Bonds2

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate (PubChem CID 2108654) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate
PubChem CID2108654
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C9H16N2O4/c1-6(12)15-5-7(13)10-8(14)11-9(2,3)4/h5H2,1-4H3,(H2,10,11,13,14)
InChIKeyDBJISTSGXGXPJK-UHFFFAOYSA-N
XLogP0.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 26039878
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
(2R)-2-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]propanoic acid
CID 104875381
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511316
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2565014
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 18197386
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2417901
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520904
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544539
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744216
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139479
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 5238801

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate (CID 2108654) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate is CC(=O)OCC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate?
The InChIKey is DBJISTSGXGXPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(12)15-5-7(13)10-8(14)11-9(2,3)4/h5H2,1-4H3,(H2,10,11,13,14).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate has a molecular weight of 216.24 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 2108654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).