[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate

C11H20N2O3 — CID 69479750

IUPAC[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)15-10(14)16-13-6-8-4-12-5-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+
InChIKeyGFHVFHQPWPIEGB-DTORHVGOSA-N
MW228.29 g/mol
LogP1.00
Rot. Bonds1

About [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate (PubChem CID 69479750) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate.

Molecular Properties

Compound Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate
PubChem CID69479750
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)15-10(14)16-13-6-8-4-12-5-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+
InChIKeyGFHVFHQPWPIEGB-DTORHVGOSA-N
XLogP1.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate?
The IUPAC name of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate (CID 69479750) is [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate.
What is the SMILES notation for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate?
The canonical SMILES for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate is CC(C)(C)OC(=O)ON1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate?
The InChIKey is GFHVFHQPWPIEGB-DTORHVGOSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)15-10(14)16-13-6-8-4-12-5-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+.
What are the key properties of [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate?
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate has a molecular weight of 228.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate is sourced from PubChem (CID 69479750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).