tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate

C11H17NO5 — CID 68764443

IUPACtert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(=O)OC1CC(=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H17NO5/c1-7(13)16-8-5-9(14)12(6-8)10(15)17-11(2,3)4/h8H,5-6H2,1-4H3
InChIKeyPZZOHZXLTPCGDN-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.09
Rot. Bonds1

About tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate

tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate (PubChem CID 68764443) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate
PubChem CID68764443
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nametert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate
SMILESCC(=O)OC1CC(=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H17NO5/c1-7(13)16-8-5-9(14)12(6-8)10(15)17-11(2,3)4/h8H,5-6H2,1-4H3
InChIKeyPZZOHZXLTPCGDN-UHFFFAOYSA-N
XLogP1.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate (CID 68764443) is tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate is CC(=O)OC1CC(=O)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate?
The InChIKey is PZZOHZXLTPCGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-7(13)16-8-5-9(14)12(6-8)10(15)17-11(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate?
tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 68764443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).