3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

C25H27NO2 — CID 25184768

IUPAC3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESO=C(O)C12CC1CN(C1CCC3(Cc4ccccc4Cc4ccccc43)C1)C2
InChIInChI=1S/C25H27NO2/c27-23(28)25-13-20(25)15-26(16-25)21-9-10-24(14-21)12-19-7-2-1-5-17(19)11-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,27,28)
InChIKeyGPWMNUXSJDSCAV-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.03
Rot. Bonds2

About 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 25184768) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID25184768
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESO=C(O)C12CC1CN(C1CCC3(Cc4ccccc4Cc4ccccc43)C1)C2
InChIInChI=1S/C25H27NO2/c27-23(28)25-13-20(25)15-26(16-25)21-9-10-24(14-21)12-19-7-2-1-5-17(19)11-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,27,28)
InChIKeyGPWMNUXSJDSCAV-UHFFFAOYSA-N
XLogP4.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (CID 25184768) is 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is O=C(O)C12CC1CN(C1CCC3(Cc4ccccc4Cc4ccccc43)C1)C2.
What is the InChIKey of 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is GPWMNUXSJDSCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c27-23(28)25-13-20(25)15-26(16-25)21-9-10-24(14-21)12-19-7-2-1-5-17(19)11-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,27,28).
What are the key properties of 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 373.50 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 25184768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).