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

C10H17NO4 — CID 68766681

IUPACtert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate
SMILESCOC1CC(=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-6-7(14-4)5-8(11)12/h7H,5-6H2,1-4H3
InChIKeyBSVJNYFPCCEDOJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds1

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

tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate (PubChem CID 68766681) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate
PubChem CID68766681
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate
SMILESCOC1CC(=O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-6-7(14-4)5-8(11)12/h7H,5-6H2,1-4H3
InChIKeyBSVJNYFPCCEDOJ-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate (CID 68766681) is tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate is COC1CC(=O)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate?
The InChIKey is BSVJNYFPCCEDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-6-7(14-4)5-8(11)12/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate?
tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methoxy-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 68766681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).