2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C12H18F3NO3 — CID 61071690

IUPAC2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H18F3NO3/c1-16(8-12(13,14)15)9(17)6-11(7-10(18)19)4-2-3-5-11/h2-8H2,1H3,(H,18,19)
InChIKeyYDHVZTKCXDKSOL-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61071690) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61071690
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H18F3NO3/c1-16(8-12(13,14)15)9(17)6-11(7-10(18)19)4-2-3-5-11/h2-8H2,1H3,(H,18,19)
InChIKeyYDHVZTKCXDKSOL-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]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-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61071690) is 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CN(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is YDHVZTKCXDKSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-16(8-12(13,14)15)9(17)6-11(7-10(18)19)4-2-3-5-11/h2-8H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).