2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid

C8H10F3NO3 — CID 60764112

IUPAC2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCC(NC(=O)C(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C8H10F3NO3/c1-7(6(14)15,4-2-3-4)12-5(13)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyLEJURAOUNORKDQ-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.92
Rot. Bonds3

About 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid

2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 60764112) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID60764112
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCC(NC(=O)C(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C8H10F3NO3/c1-7(6(14)15,4-2-3-4)12-5(13)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyLEJURAOUNORKDQ-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic 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 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 60764112) is 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid is CC(NC(=O)C(F)(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is LEJURAOUNORKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-7(6(14)15,4-2-3-4)12-5(13)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 225.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 60764112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).