[2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate

C8H16N2O3 — CID 167524612

IUPAC[2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate
SMILESCNC(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-8(2,3)10-6(11)5-13-7(12)9-4/h5H2,1-4H3,(H,9,12)(H,10,11)
InChIKeyUTFDEPFFIRPRMX-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.26
Rot. Bonds2

About [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate

[2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate (PubChem CID 167524612) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate
PubChem CID167524612
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate
SMILESCNC(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-8(2,3)10-6(11)5-13-7(12)9-4/h5H2,1-4H3,(H,9,12)(H,10,11)
InChIKeyUTFDEPFFIRPRMX-UHFFFAOYSA-N
XLogP0.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate (CID 167524612) is [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate is CNC(=O)OCC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate?
The InChIKey is UTFDEPFFIRPRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)10-6(11)5-13-7(12)9-4/h5H2,1-4H3,(H,9,12)(H,10,11).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate?
[2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate has a molecular weight of 188.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] N-methylcarbamate is sourced from PubChem (CID 167524612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).