1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C12H17F3N2O3 — CID 63710241

IUPAC1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC(=O)C2(C(F)(F)F)CCNC2)CCCC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)10(5-6-16-7-10)8(18)17-11(9(19)20)3-1-2-4-11/h16H,1-7H2,(H,17,18)(H,19,20)
InChIKeyIUACTGZVEBFMAJ-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.04
Rot. Bonds3

About 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 63710241) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID63710241
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC(=O)C2(C(F)(F)F)CCNC2)CCCC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)10(5-6-16-7-10)8(18)17-11(9(19)20)3-1-2-4-11/h16H,1-7H2,(H,17,18)(H,19,20)
InChIKeyIUACTGZVEBFMAJ-UHFFFAOYSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-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-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 63710241) is 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(O)C1(NC(=O)C2(C(F)(F)F)CCNC2)CCCC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is IUACTGZVEBFMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)10(5-6-16-7-10)8(18)17-11(9(19)20)3-1-2-4-11/h16H,1-7H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63710241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).