3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid

C6H11F3N2O4 — CID 118525693

IUPAC3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C(O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O2.C2HF3O2/c1-6-4(8)3(7)2-5;3-2(4,5)1(6)7/h3,7H,2,5H2,1H3,(H,6,8);(H,6,7)
InChIKeyOTEMBEAKXNSTHL-UHFFFAOYSA-N
MW232.16 g/mol
LogP-1.31
Rot. Bonds2

About 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid

3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 118525693) has the molecular formula C6H11F3N2O4 and a molecular weight of 232.16 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID118525693
Molecular FormulaC6H11F3N2O4
Molecular Weight232.16 g/mol
Exact Mass232.07
IUPAC Name3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C(O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O2.C2HF3O2/c1-6-4(8)3(7)2-5;3-2(4,5)1(6)7/h3,7H,2,5H2,1H3,(H,6,8);(H,6,7)
InChIKeyOTEMBEAKXNSTHL-UHFFFAOYSA-N
XLogP-1.31
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-hydroxy-N-methylpropanamide;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 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid (CID 118525693) is 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid is CNC(=O)C(O)CN.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is OTEMBEAKXNSTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.C2HF3O2/c1-6-4(8)3(7)2-5;3-2(4,5)1(6)7/h3,7H,2,5H2,1H3,(H,6,8);(H,6,7).
What are the key properties of 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid?
3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 232.16 g/mol, XLogP of -1.31, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118525693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).