[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone

C12H18F2N2O — CID 138014707

IUPAC[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone
SMILESCC(F)(F)C1(C(=O)N2C[C@@H]3CC[C@]3(N)C2)CC1
InChIInChI=1S/C12H18F2N2O/c1-10(13,14)11(4-5-11)9(17)16-6-8-2-3-12(8,15)7-16/h8H,2-7,15H2,1H3/t8-,12-/m0/s1
InChIKeyAZKKCBIZRLBAHX-UFBFGSQYSA-N
MW244.28 g/mol
LogP1.37
Rot. Bonds2

About [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone

[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone (PubChem CID 138014707) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone
PubChem CID138014707
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone
SMILESCC(F)(F)C1(C(=O)N2C[C@@H]3CC[C@]3(N)C2)CC1
InChIInChI=1S/C12H18F2N2O/c1-10(13,14)11(4-5-11)9(17)16-6-8-2-3-12(8,15)7-16/h8H,2-7,15H2,1H3/t8-,12-/m0/s1
InChIKeyAZKKCBIZRLBAHX-UFBFGSQYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone?
The IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone (CID 138014707) is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone.
What is the SMILES notation for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone?
The canonical SMILES for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone is CC(F)(F)C1(C(=O)N2C[C@@H]3CC[C@]3(N)C2)CC1.
What is the InChIKey of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone?
The InChIKey is AZKKCBIZRLBAHX-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-10(13,14)11(4-5-11)9(17)16-6-8-2-3-12(8,15)7-16/h8H,2-7,15H2,1H3/t8-,12-/m0/s1.
What are the key properties of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone?
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-(1,1-difluoroethyl)cyclopropyl]methanone has a molecular weight of 244.28 g/mol, XLogP of 1.37, 2 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]-[1-(1,1-difluoroethyl)cyclopropyl]methanone is sourced from PubChem (CID 138014707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).