tert-butyl 2-(diethylcarbamoylamino)acetate

C11H22N2O3 — CID 15895077

IUPACtert-butyl 2-(diethylcarbamoylamino)acetate
SMILESCCN(CC)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-13(7-2)10(15)12-8-9(14)16-11(3,4)5/h6-8H2,1-5H3,(H,12,15)
InChIKeyCZUWVSWAJGIEQK-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.38
Rot. Bonds4

About tert-butyl 2-(diethylcarbamoylamino)acetate

tert-butyl 2-(diethylcarbamoylamino)acetate (PubChem CID 15895077) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 2-(diethylcarbamoylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(diethylcarbamoylamino)acetate
PubChem CID15895077
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 2-(diethylcarbamoylamino)acetate
SMILESCCN(CC)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-13(7-2)10(15)12-8-9(14)16-11(3,4)5/h6-8H2,1-5H3,(H,12,15)
InChIKeyCZUWVSWAJGIEQK-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(diethylcarbamoylamino)acetate?
The IUPAC name of tert-butyl 2-(diethylcarbamoylamino)acetate (CID 15895077) is tert-butyl 2-(diethylcarbamoylamino)acetate.
What is the SMILES notation for tert-butyl 2-(diethylcarbamoylamino)acetate?
The canonical SMILES for tert-butyl 2-(diethylcarbamoylamino)acetate is CCN(CC)C(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(diethylcarbamoylamino)acetate?
The InChIKey is CZUWVSWAJGIEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-13(7-2)10(15)12-8-9(14)16-11(3,4)5/h6-8H2,1-5H3,(H,12,15).
What are the key properties of tert-butyl 2-(diethylcarbamoylamino)acetate?
tert-butyl 2-(diethylcarbamoylamino)acetate has a molecular weight of 230.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(diethylcarbamoylamino)acetate is sourced from PubChem (CID 15895077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).