tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate

C11H20N2O3 — CID 24776725

IUPACtert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCC1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)12-6-8-13-7-4-5-9(13)14/h4-8H2,1-3H3,(H,12,15)
InChIKeyPNXPSJQRWGVEHP-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds3

About tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate

tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate (PubChem CID 24776725) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate
PubChem CID24776725
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCC1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)12-6-8-13-7-4-5-9(13)14/h4-8H2,1-3H3,(H,12,15)
InChIKeyPNXPSJQRWGVEHP-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate (CID 24776725) is tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCCC1=O.
What is the InChIKey of tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate?
The InChIKey is PNXPSJQRWGVEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)12-6-8-13-7-4-5-9(13)14/h4-8H2,1-3H3,(H,12,15).
What are the key properties of tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-oxopyrrolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 24776725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).