tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

C10H20N2O3 — CID 21034185

IUPACtert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCC(C)NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)12-8(13)6-11-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,11,14)(H,12,13)
InChIKeyMHYFGZCHGHTHGK-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.04
Rot. Bonds3

About tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate

tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (PubChem CID 21034185) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
PubChem CID21034185
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
SMILESCC(C)NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)12-8(13)6-11-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,11,14)(H,12,13)
InChIKeyMHYFGZCHGHTHGK-UHFFFAOYSA-N
XLogP1.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate (CID 21034185) is tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is CC(C)NC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
The InChIKey is MHYFGZCHGHTHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)12-8(13)6-11-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H,11,14)(H,12,13).
What are the key properties of tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 21034185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).