[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone

C13H18F2N2O — CID 138011928

IUPAC[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone
SMILESN[C@]12CC[C@H]1CN(C(=O)C1CC3(C1)CC3(F)F)C2
InChIInChI=1S/C13H18F2N2O/c14-13(15)6-11(13)3-8(4-11)10(18)17-5-9-1-2-12(9,16)7-17/h8-9H,1-7,16H2/t8?,9-,11?,12-/m0/s1
InChIKeyYXOLAEWFAHYEKE-FUCVQLFNSA-N
MW256.30 g/mol
LogP1.37
Rot. Bonds1

About [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone

[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone (PubChem CID 138011928) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone
PubChem CID138011928
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone
SMILESN[C@]12CC[C@H]1CN(C(=O)C1CC3(C1)CC3(F)F)C2
InChIInChI=1S/C13H18F2N2O/c14-13(15)6-11(13)3-8(4-11)10(18)17-5-9-1-2-12(9,16)7-17/h8-9H,1-7,16H2/t8?,9-,11?,12-/m0/s1
InChIKeyYXOLAEWFAHYEKE-FUCVQLFNSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 138014707
CID 138014707
CID 138014708
CID 138014708
CID 154807687
CID 154807687
CID 165439776
CID 165439776
CID 167803366
CID 167803366

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone?
The IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone (CID 138011928) is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone.
What is the SMILES notation for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone?
The canonical SMILES for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone is N[C@]12CC[C@H]1CN(C(=O)C1CC3(C1)CC3(F)F)C2.
What is the InChIKey of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone?
The InChIKey is YXOLAEWFAHYEKE-FUCVQLFNSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-13(15)6-11(13)3-8(4-11)10(18)17-5-9-1-2-12(9,16)7-17/h8-9H,1-7,16H2/t8?,9-,11?,12-/m0/s1.
What are the key properties of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone?
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone has a molecular weight of 256.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(2,2-difluorospiro[2.3]hexan-5-yl)methanone is sourced from PubChem (CID 138011928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).