2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid

C14H16F3NO2 — CID 60997313

IUPAC2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESC1CCC(C1)NC(C2=CC(=CC=C2)C(F)(F)F)C(=O)O
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-5-3-4-9(8-10)12(13(19)20)18-11-6-1-2-7-11/h3-5,8,11-12,18H,1-2,6-7H2,(H,19,20)
InChIKeyISGGVXPUVBTSGE-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.00
Rot. Bonds4

About 2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid

2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 60997313) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID60997313
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESC1CCC(C1)NC(C2=CC(=CC=C2)C(F)(F)F)C(=O)O
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)10-5-3-4-9(8-10)12(13(19)20)18-11-6-1-2-7-11/h3-5,8,11-12,18H,1-2,6-7H2,(H,19,20)
InChIKeyISGGVXPUVBTSGE-UHFFFAOYSA-N
XLogP1.00
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity340

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic 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 2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 60997313) is 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid is C1CCC(C1)NC(C2=CC(=CC=C2)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is ISGGVXPUVBTSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)10-5-3-4-9(8-10)12(13(19)20)18-11-6-1-2-7-11/h3-5,8,11-12,18H,1-2,6-7H2,(H,19,20).
What are the key properties of 2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid?
2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 60997313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).