tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate

C11H19NO3 — CID 124603951

IUPACtert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate
SMILESCC(C)(C)OC(=O)[C@]12CNC[C@H]1COC2
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(13)11-6-12-4-8(11)5-14-7-11/h8,12H,4-7H2,1-3H3/t8-,11-/m0/s1
InChIKeyFDBGUEUAWVKSRM-KWQFWETISA-N
MW213.28 g/mol
LogP0.56
Rot. Bonds1

About tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate

tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate (PubChem CID 124603951) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate.

Molecular Properties

Compound Nametert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate
PubChem CID124603951
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate
SMILESCC(C)(C)OC(=O)[C@]12CNC[C@H]1COC2
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(13)11-6-12-4-8(11)5-14-7-11/h8,12H,4-7H2,1-3H3/t8-,11-/m0/s1
InChIKeyFDBGUEUAWVKSRM-KWQFWETISA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate?
The IUPAC name of tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate (CID 124603951) is tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate.
What is the SMILES notation for tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate?
The canonical SMILES for tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate is CC(C)(C)OC(=O)[C@]12CNC[C@H]1COC2.
What is the InChIKey of tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate?
The InChIKey is FDBGUEUAWVKSRM-KWQFWETISA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)11-6-12-4-8(11)5-14-7-11/h8,12H,4-7H2,1-3H3/t8-,11-/m0/s1.
What are the key properties of tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate?
tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3aS,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxylate is sourced from PubChem (CID 124603951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).