2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid

C14H22F3NO3 — CID 61070566

IUPAC2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H22F3NO3/c1-10(2)18(9-14(15,16)17)11(19)7-13(8-12(20)21)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyCHOOPTKSYAXXGL-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.21
Rot. Bonds6

About 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid (PubChem CID 61070566) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid
PubChem CID61070566
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H22F3NO3/c1-10(2)18(9-14(15,16)17)11(19)7-13(8-12(20)21)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyCHOOPTKSYAXXGL-UHFFFAOYSA-N
XLogP3.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]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-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid (CID 61070566) is 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid is CC(C)N(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid?
The InChIKey is CHOOPTKSYAXXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-10(2)18(9-14(15,16)17)11(19)7-13(8-12(20)21)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid has a molecular weight of 309.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).