tert-butyl N-(2-acetamido-2-oxoethyl)carbamate

C9H16N2O4 — CID 134858069

IUPACtert-butyl N-(2-acetamido-2-oxoethyl)carbamate
SMILESCC(=O)NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H16N2O4/c1-6(12)11-7(13)5-10-8(14)15-9(2,3)4/h5H2,1-4H3,(H,10,14)(H,11,12,13)
InChIKeyVAVDHDABRUIQCX-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.17
Rot. Bonds2

About tert-butyl N-(2-acetamido-2-oxoethyl)carbamate

tert-butyl N-(2-acetamido-2-oxoethyl)carbamate (PubChem CID 134858069) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is tert-butyl N-(2-acetamido-2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-acetamido-2-oxoethyl)carbamate
PubChem CID134858069
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nametert-butyl N-(2-acetamido-2-oxoethyl)carbamate
SMILESCC(=O)NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H16N2O4/c1-6(12)11-7(13)5-10-8(14)15-9(2,3)4/h5H2,1-4H3,(H,10,14)(H,11,12,13)
InChIKeyVAVDHDABRUIQCX-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-acetamido-2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-(2-acetamido-2-oxoethyl)carbamate (CID 134858069) is tert-butyl N-(2-acetamido-2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-acetamido-2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-acetamido-2-oxoethyl)carbamate is CC(=O)NC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-acetamido-2-oxoethyl)carbamate?
The InChIKey is VAVDHDABRUIQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(12)11-7(13)5-10-8(14)15-9(2,3)4/h5H2,1-4H3,(H,10,14)(H,11,12,13).
What are the key properties of tert-butyl N-(2-acetamido-2-oxoethyl)carbamate?
tert-butyl N-(2-acetamido-2-oxoethyl)carbamate 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 tert-butyl N-(2-acetamido-2-oxoethyl)carbamate is sourced from PubChem (CID 134858069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).