[(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate

C15H26N2O6 — CID 163451146

IUPAC[(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)NC(C)(C)C
InChIInChI=1S/C15H26N2O6/c1-8(2)16-13(18)22-9-6-20-12-10(7-21-11(9)12)23-14(19)17-15(3,4)5/h8-12H,6-7H2,1-5H3,(H,16,18)(H,17,19)/t9-,10+,11-,12-/m1/s1
InChIKeyBGSIDLQKMCHHQB-WRWGMCAJSA-N
MW330.38 g/mol
LogP1.18
Rot. Bonds3

About [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate

[(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate (PubChem CID 163451146) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate
PubChem CID163451146
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name[(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)NC(C)(C)C
InChIInChI=1S/C15H26N2O6/c1-8(2)16-13(18)22-9-6-20-12-10(7-21-11(9)12)23-14(19)17-15(3,4)5/h8-12H,6-7H2,1-5H3,(H,16,18)(H,17,19)/t9-,10+,11-,12-/m1/s1
InChIKeyBGSIDLQKMCHHQB-WRWGMCAJSA-N
XLogP1.18
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate?
The IUPAC name of [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate (CID 163451146) is [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate?
The canonical SMILES for [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate is CC(C)NC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)NC(C)(C)C.
What is the InChIKey of [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate?
The InChIKey is BGSIDLQKMCHHQB-WRWGMCAJSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-8(2)16-13(18)22-9-6-20-12-10(7-21-11(9)12)23-14(19)17-15(3,4)5/h8-12H,6-7H2,1-5H3,(H,16,18)(H,17,19)/t9-,10+,11-,12-/m1/s1.
What are the key properties of [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate?
[(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate has a molecular weight of 330.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate is sourced from PubChem (CID 163451146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).