(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C14H21F3N2O — CID 163396186

IUPAC(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESN[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C(F)(F)F)CCC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)13(4-1-5-13)7-19-12(20)10-8-2-3-9(6-8)11(10)18/h8-11H,1-7,18H2,(H,19,20)/t8-,9+,10+,11-/m1/s1
InChIKeyONDSWFBQSORMNZ-VPOLOUISSA-N
MW290.33 g/mol
LogP2.21
Rot. Bonds3

About (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 163396186) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID163396186
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESN[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C(F)(F)F)CCC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)13(4-1-5-13)7-19-12(20)10-8-2-3-9(6-8)11(10)18/h8-11H,1-7,18H2,(H,19,20)/t8-,9+,10+,11-/m1/s1
InChIKeyONDSWFBQSORMNZ-VPOLOUISSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163395342
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395343
(1R,2S,3R,4S)-3-amino-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163396090
(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163396185
3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 167110644
3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167110752
3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 167110787
3-[(2,2,2-Trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 175889028
(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154720154
(2R,3S)-3-amino-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 166441112
(1R,4S)-3-amino-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 166441195
(2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 166441258

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 163396186) is (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCC1(C(F)(F)F)CCC1.
What is the InChIKey of (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ONDSWFBQSORMNZ-VPOLOUISSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)13(4-1-5-13)7-19-12(20)10-8-2-3-9(6-8)11(10)18/h8-11H,1-7,18H2,(H,19,20)/t8-,9+,10+,11-/m1/s1.
What are the key properties of (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 163396186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).