4-[(S)-3-tert-Butoxycarbonylaminopyrrolidin-1-yl]-2-cyclopropylamino-3,5,6-trifluorobenzoic acid benzyl ester

HCID 86607129
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@H]1CCN(c2c(F)c(F)c(C(=O)OCc3ccccc3)c(NC3CC3)c2F)C1
InChIKey
YHZJBIHCJSVWKD-KRWDZBQOSA-N
Molecular formula
C26H30F3N3O4
Average molar mass
505.5 g/mol

Names & identifiers

Preferred name
4-[(S)-3-tert-Butoxycarbonylaminopyrrolidin-1-yl]-2-cyclopropylamino-3,5,6-trifluorobenzoic acid benzyl ester
IUPAC
benzyl 2-(cyclopropylamino)-3,5,6-trifluoro-4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate

Names & synonyms

SCHEMBL4511839YHZJBIHCJSVWKD-KRWDZBQOSA-N4-[(S)-3-tert-Butoxycarbonylaminopyrrolidin-1-yl]-2-cyclopropylamino-3,5,6-trifluorobenzoic acid benzyl ester

Database identifiers

PubChem CID
86607129

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
79.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
36

Related reactions

1 records
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Compound notes

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