2-[(3R*,4S*)-1-{[2-Chloro-6-(trifluoromethyl)phenyl]methyl}-3-{[1-(cyclohex-1-en-1-ylmethyl)piperidin-4-yl]carbamoyl}-4-methylpyrrolidin-3-yl]acetic acid

HCID 71293643
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Basic information

Standard SMILES
C[C@@H]1CN(Cc2c(Cl)cccc2C(F)(F)F)C[C@]1(CC(=O)O)C(=O)NC1CCN(CC2=CCCCC2)CC1
InChIKey
JTJKDYLEMNXXER-WINIVTDRSA-N
Molecular formula
C28H37ClF3N3O3
Average molar mass
556.1 g/mol
Monoisotopic mass
555.2475542

Names & identifiers

Preferred name
2-[(3R*,4S*)-1-{[2-Chloro-6-(trifluoromethyl)phenyl]methyl}-3-{[1-(cyclohex-1-en-1-ylmethyl)piperidin-4-yl]carbamoyl}-4-methylpyrrolidin-3-yl]acetic acid
IUPAC
2-[(3R,4S)-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-3-[[1-(cyclohexen-1-ylmethyl)piperidin-4-yl]carbamoyl]-4-methylpyrrolidin-3-yl]acetic acid

Names & synonyms

SCHEMBL14760831JTJKDYLEMNXXER-WINIVTDRSA-N2-[(3R*,4S*)-1-{[2-Chloro-6-(trifluoromethyl)phenyl]methyl}-3-{[1-(cyclohex-1-en-1-ylmethyl)piperidin-4-yl]carbamoyl}-4-methylpyrrolidin-3-yl]acetic acid

Database identifiers

PubChem CID
71293643

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
72.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
38

Related reactions

3 records
New reaction record

Compound notes

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