3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid

C11H14F3NO3 — CID 167732428

IUPAC3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(C2CCC2)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)10(18)15-5-4-7(6-2-1-3-6)8(15)9(16)17/h6-8H,1-5H2,(H,16,17)
InChIKeySZUYDTNZFGKHOP-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.65
Rot. Bonds2

About 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid

3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 167732428) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
PubChem CID167732428
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(C2CCC2)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)10(18)15-5-4-7(6-2-1-3-6)8(15)9(16)17/h6-8H,1-5H2,(H,16,17)
InChIKeySZUYDTNZFGKHOP-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-cyclobutyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86337811
(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080923
2-(2-methoxy-2-methylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 103019350
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 102679386
2,2,2-trifluoro-1-[(2R)-2-methylazetidin-1-yl]ethanone
CID 171796784
2-(azocane-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889873
1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone
CID 143064094
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
2-[methyl(3,3,3-trifluoropropyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890393
2-[2-(2,2,2-trifluoroethoxy)acetyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 103206270

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid (CID 167732428) is 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid is O=C(O)C1C(C2CCC2)CCN1C(=O)C(F)(F)F.
What is the InChIKey of 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SZUYDTNZFGKHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c12-11(13,14)10(18)15-5-4-7(6-2-1-3-6)8(15)9(16)17/h6-8H,1-5H2,(H,16,17).
What are the key properties of 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167732428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).