(1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid

C15H18F3N3O5 — CID 166258922

IUPAC(1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)[C@@]12C[C@@H](Nc3nc(C4CCC4)no3)C[C@@H]1C2
InChIInChI=1S/C13H17N3O3.C2HF3O2/c17-11(18)13-5-8(13)4-9(6-13)14-12-15-10(16-19-12)7-2-1-3-7;3-2(4,5)1(6)7/h7-9H,1-6H2,(H,17,18)(H,14,15,16);(H,6,7)/t8-,9+,13+;/m1./s1
InChIKeyVTMXPZNUMNWCPY-NGWUDCAKSA-N
MW377.32 g/mol
LogP2.64
Rot. Bonds4

About (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid

(1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 166258922) has the molecular formula C15H18F3N3O5 and a molecular weight of 377.32 g/mol. Its IUPAC name is (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID166258922
Molecular FormulaC15H18F3N3O5
Molecular Weight377.32 g/mol
Exact Mass377.12
IUPAC Name(1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)[C@@]12C[C@@H](Nc3nc(C4CCC4)no3)C[C@@H]1C2
InChIInChI=1S/C13H17N3O3.C2HF3O2/c17-11(18)13-5-8(13)4-9(6-13)14-12-15-10(16-19-12)7-2-1-3-7;3-2(4,5)1(6)7/h7-9H,1-6H2,(H,17,18)(H,14,15,16);(H,6,7)/t8-,9+,13+;/m1./s1
InChIKeyVTMXPZNUMNWCPY-NGWUDCAKSA-N
XLogP2.64
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid (CID 166258922) is (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)[C@@]12C[C@@H](Nc3nc(C4CCC4)no3)C[C@@H]1C2.
What is the InChIKey of (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is VTMXPZNUMNWCPY-NGWUDCAKSA-N. The full InChI is InChI=1S/C13H17N3O3.C2HF3O2/c17-11(18)13-5-8(13)4-9(6-13)14-12-15-10(16-19-12)7-2-1-3-7;3-2(4,5)1(6)7/h7-9H,1-6H2,(H,17,18)(H,14,15,16);(H,6,7)/t8-,9+,13+;/m1./s1.
What are the key properties of (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid?
(1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 377.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166258922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).