3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid

C7H8F3NO3 — CID 131078447

IUPAC3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H8F3NO3/c1-6(5(13)14)2-11(3-6)4(12)7(8,9)10/h2-3H2,1H3,(H,13,14)
InChIKeySZRRXKGZKCTCAL-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.48
Rot. Bonds1

About 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid

3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid (PubChem CID 131078447) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid
PubChem CID131078447
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H8F3NO3/c1-6(5(13)14)2-11(3-6)4(12)7(8,9)10/h2-3H2,1H3,(H,13,14)
InChIKeySZRRXKGZKCTCAL-UHFFFAOYSA-N
XLogP0.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic 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

1-Acetylazetidine-3-carboxylic acid
CID 13374357
1-(2,2,2-Trifluoroacetyl)-3-azetidinecarboxylic acid
CID 21076132
1-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 64260693
3-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 61000945
1-(2,2-Difluoroethyl)azetidine-3-carboxylic acid
CID 64258950
1-(3,3,3-Trifluoropropyl)azetidine-3-carboxylic acid
CID 64566941
1-(2,2-Difluoroethyl)-3-methylazetidine-3-carboxylic acid
CID 130988427
1-(1,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 175559340
1-(2,3,3-Trifluoropropyl)azetidine-3-carboxylic acid
CID 175567673
1-Ethyl-3-fluoroazetidine-3-carboxylic acid
CID 177038185
3-[Methyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
CID 60988390
3-(n-(Tert-butyl)-2,2,2-trifluoroacetamido)propanoic acid
CID 61000447

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid (CID 131078447) is 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid is CC1(C(=O)O)CN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid?
The InChIKey is SZRRXKGZKCTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c1-6(5(13)14)2-11(3-6)4(12)7(8,9)10/h2-3H2,1H3,(H,13,14).
What are the key properties of 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid?
3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid has a molecular weight of 211.14 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 131078447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).