1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H14F3NO3 — CID 55226514

IUPAC1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC1CC1C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO3/c1-6-4-7(6)8(16)15-3-2-10(5-15,9(17)18)11(12,13)14/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyOBEBTFVIQWHQGC-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.51
Rot. Bonds2

About 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 55226514) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID55226514
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC1CC1C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO3/c1-6-4-7(6)8(16)15-3-2-10(5-15,9(17)18)11(12,13)14/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyOBEBTFVIQWHQGC-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S*,4S*)-4-isopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinecarboxylic acid
CID 72918235
(3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid
CID 164638245
1-(2,2,2-Trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 21076133
(3S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 58222841
1-(Cyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226512
1-(2-Ethylbutanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226695
1-(3,3-Dimethylbutanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226696
1-Acetyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55228425
1-(3,3,3-Trifluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 63006751
3-Methyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 63142773
3-Ethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 63144689
3-Propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 63144798

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 55226514) is 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC1CC1C(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OBEBTFVIQWHQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-6-4-7(6)8(16)15-3-2-10(5-15,9(17)18)11(12,13)14/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55226514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).