3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

C11H17F3N2O2 — CID 113266365

IUPAC3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7(17)4-16-10(18)8-5-1-2-6(3-5)9(8)15/h5-9,17H,1-4,15H2,(H,16,18)
InChIKeyHHMBJEPFDGCQFN-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.40
Rot. Bonds3

About 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 113266365) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID113266365
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)7(17)4-16-10(18)8-5-1-2-6(3-5)9(8)15/h5-9,17H,1-4,15H2,(H,16,18)
InChIKeyHHMBJEPFDGCQFN-UHFFFAOYSA-N
XLogP0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167110752
3-[(2,2,2-Trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 175889028
3-amino-N-[4-(trifluoromethyl)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64376864
3-amino-N-[2-(trifluoromethyl)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64376865
3-amino-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64377035
3-amino-N-(3,3,3-trifluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64377686
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64378650
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64378808
3-amino-N-[3-(trifluoromethyl)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64379376
2-[(3-Aminobicyclo[2.2.1]heptane-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258173

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 113266365) is 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HHMBJEPFDGCQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)7(17)4-16-10(18)8-5-1-2-6(3-5)9(8)15/h5-9,17H,1-4,15H2,(H,16,18).
What are the key properties of 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 113266365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).