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

HCID 70945352
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Basic information

Standard SMILES
COC(=O)[C@H](CC1CCCC1)N1Cc2c(cccc2C(F)(F)F)C1=O
InChIKey
YYDZFNIBUICQOH-HNNXBMFYSA-N
Molecular formula
C18H20F3NO3
Average molar mass
355.4 g/mol
Monoisotopic mass
355.13952799

Names & identifiers

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

Names & synonyms

(S)-3-cyclopentyl-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-propionic acid methyl esterSCHEMBL13584642

Database identifiers

PubChem CID
70945352

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

Related reactions

4 records
New reaction record

Compound notes

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