(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide

C11H17F2N3O — CID 138016472

IUPAC(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NC1CC(F)(F)C1)C2
InChIInChI=1S/C11H17F2N3O/c12-11(13)3-8(4-11)15-9(17)16-5-7-1-2-10(7,14)6-16/h7-8H,1-6,14H2,(H,15,17)/t7-,10-/m0/s1
InChIKeyQZALZGOJXFIYER-XVKPBYJWSA-N
MW245.27 g/mol
LogP0.92
Rot. Bonds1

About (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016472) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016472
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESN[C@]12CC[C@H]1CN(C(=O)NC1CC(F)(F)C1)C2
InChIInChI=1S/C11H17F2N3O/c12-11(13)3-8(4-11)15-9(17)16-5-7-1-2-10(7,14)6-16/h7-8H,1-6,14H2,(H,15,17)/t7-,10-/m0/s1
InChIKeyQZALZGOJXFIYER-XVKPBYJWSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide with MolForge

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Related Compounds

8-amino-N-(3,3-difluorocyclobutyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 138016471
(1R,5S)-1-amino-N-[(4,4-difluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016483
(1R,5S)-1-amino-N-[2-(3,3-difluorocyclobutyl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016520
(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016529
(1R,5S)-1-amino-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016557
(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016562
(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016565
(1R,5S)-1-amino-N-(3-amino-2,2-difluoropropyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 154807408
1-(aminomethyl)-N-(propan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 165462919
1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide
CID 165476856

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016472) is (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide is N[C@]12CC[C@H]1CN(C(=O)NC1CC(F)(F)C1)C2.
What is the InChIKey of (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is QZALZGOJXFIYER-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-11(13)3-8(4-11)15-9(17)16-5-7-1-2-10(7,14)6-16/h7-8H,1-6,14H2,(H,15,17)/t7-,10-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 245.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).