(2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid

C8H15F3N2O3 — CID 174230705

IUPAC(2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H](N)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-4(2)5(7)6(9)8-3;3-2(4,5)1(6)7/h4-5H,7H2,1-3H3,(H,8,9);(H,6,7)/t5-;/m1./s1
InChIKeyBHHCJWBSKIDOPF-NUBCRITNSA-N
MW244.21 g/mol
LogP0.35
Rot. Bonds2

About (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid

(2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid (PubChem CID 174230705) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
PubChem CID174230705
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name(2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H](N)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-4(2)5(7)6(9)8-3;3-2(4,5)1(6)7/h4-5H,7H2,1-3H3,(H,8,9);(H,6,7)/t5-;/m1./s1
InChIKeyBHHCJWBSKIDOPF-NUBCRITNSA-N
XLogP0.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N,3-dimethylbutanamide;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 (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid (CID 174230705) is (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid is CNC(=O)[C@H](N)C(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is BHHCJWBSKIDOPF-NUBCRITNSA-N. The full InChI is InChI=1S/C6H14N2O.C2HF3O2/c1-4(2)5(7)6(9)8-3;3-2(4,5)1(6)7/h4-5H,7H2,1-3H3,(H,8,9);(H,6,7)/t5-;/m1./s1.
What are the key properties of (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid?
(2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 244.21 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,3-dimethylbutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174230705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).