tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate

C11H20N2O3 — CID 15433421

IUPACtert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN[C@H]2CCO[C@H]21
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-8-6-12-7-4-5-15-9(7)8/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m0/s1
InChIKeyCPZARJFNNPCWQM-DJLDLDEBSA-N
MW228.29 g/mol
LogP0.64
Rot. Bonds1

About tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate

tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate (PubChem CID 15433421) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate
PubChem CID15433421
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN[C@H]2CCO[C@H]21
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-8-6-12-7-4-5-15-9(7)8/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m0/s1
InChIKeyCPZARJFNNPCWQM-DJLDLDEBSA-N
XLogP0.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate?
The IUPAC name of tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate (CID 15433421) is tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CN[C@H]2CCO[C@H]21.
What is the InChIKey of tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate?
The InChIKey is CPZARJFNNPCWQM-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-8-6-12-7-4-5-15-9(7)8/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9+/m0/s1.
What are the key properties of tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate?
tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]carbamate is sourced from PubChem (CID 15433421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).