tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate

C10H17NO4 — CID 11148606

IUPACtert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate
SMILESCC(C)(C)OC(=O)OC[C@@H]1CCC(=O)N1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)14-6-7-4-5-8(12)11-7/h7H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyCUJAAVADTVYNDJ-ZETCQYMHSA-N
MW215.25 g/mol
LogP1.22
Rot. Bonds2

About tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate

tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate (PubChem CID 11148606) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate.

Molecular Properties

Compound Nametert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate
PubChem CID11148606
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate
SMILESCC(C)(C)OC(=O)OC[C@@H]1CCC(=O)N1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)14-6-7-4-5-8(12)11-7/h7H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyCUJAAVADTVYNDJ-ZETCQYMHSA-N
XLogP1.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate?
The IUPAC name of tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate (CID 11148606) is tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate.
What is the SMILES notation for tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate?
The canonical SMILES for tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate is CC(C)(C)OC(=O)OC[C@@H]1CCC(=O)N1.
What is the InChIKey of tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate?
The InChIKey is CUJAAVADTVYNDJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)14-6-7-4-5-8(12)11-7/h7H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1.
What are the key properties of tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate?
tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate has a molecular weight of 215.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate is sourced from PubChem (CID 11148606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).