(S)-3-cyclopentyl-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-propionic acid

HCID 70945341
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)[C@H](CC1CCCC1)N1Cc2c(cccc2C(F)(F)F)C1=O
InChIKey
GLHYEOSZBKZCOO-AWEZNQCLSA-N
Molecular formula
C17H18F3NO3
Average molar mass
341.32 g/mol

Names & identifiers

Preferred name
(S)-3-cyclopentyl-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-propionic acid
IUPAC
(2S)-3-cyclopentyl-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]propanoic acid

Names & synonyms

(S)-3-cyclopentyl-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-propionic acidSCHEMBL13584618

Database identifiers

PubChem CID
70945341

Properties

Computed structural properties

XLogP
4
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
24

Related reactions

26 records
New reaction record

Compound notes

Loading…