3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid

C8H15F3N2O4 — CID 46221275

IUPAC3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(N)CC(=O)NO.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2.C2HF3O2/c1-4(2)5(7)3-6(9)8-10;3-2(4,5)1(6)7/h4-5,10H,3,7H2,1-2H3,(H,8,9);(H,6,7)
InChIKeyWDUBLRCAWNEXLY-UHFFFAOYSA-N
MW260.21 g/mol
LogP0.50
Rot. Bonds3

About 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid

3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid (PubChem CID 46221275) has the molecular formula C8H15F3N2O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid
PubChem CID46221275
Molecular FormulaC8H15F3N2O4
Molecular Weight260.21 g/mol
Exact Mass260.10
IUPAC Name3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)C(N)CC(=O)NO.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2.C2HF3O2/c1-4(2)5(7)3-6(9)8-10;3-2(4,5)1(6)7/h4-5,10H,3,7H2,1-2H3,(H,8,9);(H,6,7)
InChIKeyWDUBLRCAWNEXLY-UHFFFAOYSA-N
XLogP0.50
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid (CID 46221275) is 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid is CC(C)C(N)CC(=O)NO.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid?
The InChIKey is WDUBLRCAWNEXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C2HF3O2/c1-4(2)5(7)3-6(9)8-10;3-2(4,5)1(6)7/h4-5,10H,3,7H2,1-2H3,(H,8,9);(H,6,7).
What are the key properties of 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid?
3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid has a molecular weight of 260.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxy-4-methylpentanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46221275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).