(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide

C13H23F2N3O — CID 138016565

IUPAC(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCC(F)(F)C(C)(C)CNC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C13H23F2N3O/c1-11(2,12(3,14)15)7-17-10(19)18-6-9-4-5-13(9,16)8-18/h9H,4-8,16H2,1-3H3,(H,17,19)/t9-,13-/m0/s1
InChIKeyNUNRVGSLZNNABX-ZANVPECISA-N
MW275.34 g/mol
LogP1.80
Rot. Bonds3

About (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016565) has the molecular formula C13H23F2N3O and a molecular weight of 275.34 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016565
Molecular FormulaC13H23F2N3O
Molecular Weight275.34 g/mol
Exact Mass275.18
IUPAC Name(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCC(F)(F)C(C)(C)CNC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C13H23F2N3O/c1-11(2,12(3,14)15)7-17-10(19)18-6-9-4-5-13(9,16)8-18/h9H,4-8,16H2,1-3H3,(H,17,19)/t9-,13-/m0/s1
InChIKeyNUNRVGSLZNNABX-ZANVPECISA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide with MolForge

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Related Compounds

2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044404
(3S)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124860673
(3R)-2,2-dimethyl-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124860674
8-amino-N-methyl-N-(2,2,2-trifluoroethyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 137936077
8-amino-N-(3-amino-2,2-difluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 137936369
8-amino-N-(2,2,2-trifluoroethyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 137936435
8-amino-N-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane-6-carboxamide
CID 138016428
(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016472
(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

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016565) is (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide is CC(F)(F)C(C)(C)CNC(=O)N1C[C@@H]2CC[C@]2(N)C1.
What is the InChIKey of (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is NUNRVGSLZNNABX-ZANVPECISA-N. The full InChI is InChI=1S/C13H23F2N3O/c1-11(2,12(3,14)15)7-17-10(19)18-6-9-4-5-13(9,16)8-18/h9H,4-8,16H2,1-3H3,(H,17,19)/t9-,13-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 1.80, 3 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-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).