(2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid

C7H13F3N2O3 — CID 22860858

IUPAC(2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
SMILESC[C@H](N)C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-4(6)5(8)7(2)3;3-2(4,5)1(6)7/h4H,6H2,1-3H3;(H,6,7)/t4-;/m0./s1
InChIKeyDJWNOQPLOATABF-WCCKRBBISA-N
MW230.19 g/mol
LogP0.06
Rot. Bonds1

About (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid

(2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 22860858) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID22860858
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC Name(2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
SMILESC[C@H](N)C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-4(6)5(8)7(2)3;3-2(4,5)1(6)7/h4H,6H2,1-3H3;(H,6,7)/t4-;/m0./s1
InChIKeyDJWNOQPLOATABF-WCCKRBBISA-N
XLogP0.06
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N,N-dimethylpropanamide;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 (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid (CID 22860858) is (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid is C[C@H](N)C(=O)N(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is DJWNOQPLOATABF-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12N2O.C2HF3O2/c1-4(6)5(8)7(2)3;3-2(4,5)1(6)7/h4H,6H2,1-3H3;(H,6,7)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
(2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 230.19 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22860858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).