(1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid

C8H11F3N2O3 — CID 68772578

IUPAC(1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)[C@H]1C[C@H]2C[C@H]2N1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O.C2HF3O2/c7-6(9)5-2-3-1-4(3)8-5;3-2(4,5)1(6)7/h3-5,8H,1-2H2,(H2,7,9);(H,6,7)/t3-,4-,5-;/m1./s1
InChIKeyANTLFTRMIBAQHA-DEVUXVJFSA-N
MW240.18 g/mol
LogP-0.14
Rot. Bonds1

About (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid

(1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 68772578) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID68772578
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name(1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)[C@H]1C[C@H]2C[C@H]2N1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O.C2HF3O2/c7-6(9)5-2-3-1-4(3)8-5;3-2(4,5)1(6)7/h3-5,8H,1-2H2,(H2,7,9);(H,6,7)/t3-,4-,5-;/m1./s1
InChIKeyANTLFTRMIBAQHA-DEVUXVJFSA-N
XLogP-0.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid (CID 68772578) is (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)[C@H]1C[C@H]2C[C@H]2N1.O=C(O)C(F)(F)F.
What is the InChIKey of (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ANTLFTRMIBAQHA-DEVUXVJFSA-N. The full InChI is InChI=1S/C6H10N2O.C2HF3O2/c7-6(9)5-2-3-1-4(3)8-5;3-2(4,5)1(6)7/h3-5,8H,1-2H2,(H2,7,9);(H,6,7)/t3-,4-,5-;/m1./s1.
What are the key properties of (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid?
(1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 240.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68772578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).