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

C7H8F3NO3 — CID 22132138

IUPAC2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c1-6(5(13)14)2-3-11(6)4(12)7(8,9)10/h2-3H2,1H3,(H,13,14)
InChIKeyKCXGJRHSTADJAS-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.62
Rot. Bonds1

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

2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid (PubChem CID 22132138) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
PubChem CID22132138
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c1-6(5(13)14)2-3-11(6)4(12)7(8,9)10/h2-3H2,1H3,(H,13,14)
InChIKeyKCXGJRHSTADJAS-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylbutanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104594792
(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride
CID 70559346
1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol
CID 156639117
1-[2-(4-chlorophenyl)acetyl]-2-methylazetidine-2-carboxylic acid
CID 70559607
(2S,5R)-2-methyl-5-(phenylmethoxyamino)-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
CID 122530215
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 113431022
1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597337
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
CID 103513470
CID 162348779
CID 162348779
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79854494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid (CID 22132138) is 2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid is CC1(C(=O)O)CCN1C(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid?
The InChIKey is KCXGJRHSTADJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c1-6(5(13)14)2-3-11(6)4(12)7(8,9)10/h2-3H2,1H3,(H,13,14).
What are the key properties of 2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid?
2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid has a molecular weight of 211.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 22132138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).