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

C11H14F3NO3 — CID 63708347

IUPAC1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(CC1CC1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)10(9(17)18)3-4-15(6-10)8(16)5-7-1-2-7/h7H,1-6H2,(H,17,18)
InChIKeyHSGXVVXMMKYUJX-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.65
Rot. Bonds3

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

1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708347) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708347
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(CC1CC1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)10(9(17)18)3-4-15(6-10)8(16)5-7-1-2-7/h7H,1-6H2,(H,17,18)
InChIKeyHSGXVVXMMKYUJX-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708347) is 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(CC1CC1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HSGXVVXMMKYUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c12-11(13,14)10(9(17)18)3-4-15(6-10)8(16)5-7-1-2-7/h7H,1-6H2,(H,17,18).
What are the key properties of 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylacetyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).