[(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

C23H34N2O3 — CID 166298002

IUPAC[(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCC(C)(C)C12CC(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)(C1)C2
InChIInChI=1S/C23H34N2O3/c1-21(2,3)23-11-22(12-23,13-23)20(27)25-9-15-7-16(25)8-24(15)19(26)18-17-6-4-5-14(17)10-28-18/h14-18H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,22?,23?/m0/s1
InChIKeyKVYOJBNPPQUWMB-OMHSZURESA-N
MW386.54 g/mol
LogP2.83
Rot. Bonds2

About [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

[(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 166298002) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID166298002
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name[(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCC(C)(C)C12CC(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)(C1)C2
InChIInChI=1S/C23H34N2O3/c1-21(2,3)23-11-22(12-23,13-23)20(27)25-9-15-7-16(25)8-24(15)19(26)18-17-6-4-5-14(17)10-28-18/h14-18H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,22?,23?/m0/s1
InChIKeyKVYOJBNPPQUWMB-OMHSZURESA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (CID 166298002) is [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is CC(C)(C)C12CC(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)(C1)C2.
What is the InChIKey of [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is KVYOJBNPPQUWMB-OMHSZURESA-N. The full InChI is InChI=1S/C23H34N2O3/c1-21(2,3)23-11-22(12-23,13-23)20(27)25-9-15-7-16(25)8-24(15)19(26)18-17-6-4-5-14(17)10-28-18/h14-18H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,22?,23?/m0/s1.
What are the key properties of [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
[(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 386.54 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-yl]-[(1S,4S)-5-(3-tert-butylbicyclo[1.1.1]pentane-1-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 166298002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).