2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid

C9H14F3NO3 — CID 65261461

IUPAC2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
SMILESCC(C)(NC(=O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C9H14F3NO3/c1-7(2,6(15)16)8(3,4)13-5(14)9(10,11)12/h1-4H3,(H,13,14)(H,15,16)
InChIKeyIBKYGQZZZKLPFJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.55
Rot. Bonds3

About 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid

2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid (PubChem CID 65261461) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
PubChem CID65261461
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
SMILESCC(C)(NC(=O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C9H14F3NO3/c1-7(2,6(15)16)8(3,4)13-5(14)9(10,11)12/h1-4H3,(H,13,14)(H,15,16)
InChIKeyIBKYGQZZZKLPFJ-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,4-Trifluoro-3-(methoxycarbonylamino)-2,2-dimethylbutanoic acid
CID 175596000
3-Methyl-3-(trifluoroacetamido)butanoic acid
CID 64670942
3-Methyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 64673267
2,2,3-Trimethyl-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 65261162
2,2,3-Trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 65261708
2,2,3-Trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid
CID 65264419
3-(2,2-Difluoroethylamino)-2,2,3-trimethylbutanoic acid
CID 65265307
2,2,3-Trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid
CID 65265606
3-Methyl-3-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 65710893
2,2,3-Trimethyl-3-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 65711710
3-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 79810807
3-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid
CID 79812038

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid (CID 65261461) is 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid is CC(C)(NC(=O)C(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
The InChIKey is IBKYGQZZZKLPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-7(2,6(15)16)8(3,4)13-5(14)9(10,11)12/h1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid has a molecular weight of 241.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid is sourced from PubChem (CID 65261461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).