4-[(S)-3-(t-butoxycarbonylamino)-2-oxopyrrolidin-1-ylmethyl]-3-trifluoromethylbenzoic acid

HCID 68691812
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)C1=O
InChIKey
CULKVSFGXHDXDY-ZDUSSCGKSA-N
Molecular formula
C18H21F3N2O5
Average molar mass
402.4 g/mol

Names & identifiers

Preferred name
4-[(S)-3-(t-butoxycarbonylamino)-2-oxopyrrolidin-1-ylmethyl]-3-trifluoromethylbenzoic acid
IUPAC
4-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoic acid

Names & synonyms

SCHEMBL3561509CULKVSFGXHDXDY-ZDUSSCGKSA-N4-[(S)-3-(t-butoxycarbonylamino)-2-oxopyrrolidin-1-ylmethyl]-3-trifluoromethylbenzoic acid

Database identifiers

PubChem CID
68691812

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
95.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
28

Related reactions

1 records
New reaction record

Linked notes

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