(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C14H24F3N3O — CID 138016562

IUPAC(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCCC(CC)(CNC(=O)N1C[C@@H]2CC[C@]2(N)C1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-3-12(4-2,14(15,16)17)8-19-11(21)20-7-10-5-6-13(10,18)9-20/h10H,3-9,18H2,1-2H3,(H,19,21)/t10-,13-/m0/s1
InChIKeySIXHDPXTJNUIMR-GWCFXTLKSA-N
MW307.36 g/mol
LogP2.49
Rot. Bonds4

About (1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016562) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016562
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCCC(CC)(CNC(=O)N1C[C@@H]2CC[C@]2(N)C1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-3-12(4-2,14(15,16)17)8-19-11(21)20-7-10-5-6-13(10,18)9-20/h10H,3-9,18H2,1-2H3,(H,19,21)/t10-,13-/m0/s1
InChIKeySIXHDPXTJNUIMR-GWCFXTLKSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016562) is (1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is CCC(CC)(CNC(=O)N1C[C@@H]2CC[C@]2(N)C1)C(F)(F)F.
What is the InChIKey of (1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is SIXHDPXTJNUIMR-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-3-12(4-2,14(15,16)17)8-19-11(21)20-7-10-5-6-13(10,18)9-20/h10H,3-9,18H2,1-2H3,(H,19,21)/t10-,13-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.49, 4 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-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).