1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H15F3N2O3 — CID 63708736

IUPAC1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)CN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-2-14-7(16)5-15-4-3-9(6-15,8(17)18)10(11,12)13/h2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyUBGFCTIQZTXCAD-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds4

About 1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708736) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708736
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCNC(=O)CN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-2-14-7(16)5-15-4-3-9(6-15,8(17)18)10(11,12)13/h2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyUBGFCTIQZTXCAD-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(ethylamino)-2-oxoethyl]-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-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708736) is 1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CCNC(=O)CN1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UBGFCTIQZTXCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-14-7(16)5-15-4-3-9(6-15,8(17)18)10(11,12)13/h2-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).