methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate

C6H9NO4 — CID 145333620

IUPACmethyl [(3R)-5-oxopyrrolidin-3-yl] carbonate
SMILESCOC(=O)O[C@H]1CNC(=O)C1
InChIInChI=1S/C6H9NO4/c1-10-6(9)11-4-2-5(8)7-3-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyFUFQHNKAJHWCHD-SCSAIBSYSA-N
MW159.14 g/mol
LogP-0.34
Rot. Bonds1

About methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate

methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate (PubChem CID 145333620) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate.

Molecular Properties

Compound Namemethyl [(3R)-5-oxopyrrolidin-3-yl] carbonate
PubChem CID145333620
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Namemethyl [(3R)-5-oxopyrrolidin-3-yl] carbonate
SMILESCOC(=O)O[C@H]1CNC(=O)C1
InChIInChI=1S/C6H9NO4/c1-10-6(9)11-4-2-5(8)7-3-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyFUFQHNKAJHWCHD-SCSAIBSYSA-N
XLogP-0.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate?
The IUPAC name of methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate (CID 145333620) is methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate.
What is the SMILES notation for methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate?
The canonical SMILES for methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate is COC(=O)O[C@H]1CNC(=O)C1.
What is the InChIKey of methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate?
The InChIKey is FUFQHNKAJHWCHD-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-10-6(9)11-4-2-5(8)7-3-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate?
methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate has a molecular weight of 159.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(3R)-5-oxopyrrolidin-3-yl] carbonate is sourced from PubChem (CID 145333620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).