((2S,4R)-4-amino-1-(2-chlorobenzylcarbamoyl)pyrrolidin-2-yl)methyl 4-ethylphenylcarbamate

HCID 59778486
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Basic information

Standard SMILES
CCc1ccc(NC(=O)OC[C@@H]2C[C@@H](N)CN2C(=O)NCc2ccccc2Cl)cc1
InChIKey
ZKWLXLGQPYUENN-MJGOQNOKSA-N
Molecular formula
C22H27ClN4O3
Average molar mass
430.9 g/mol

Names & identifiers

Preferred name
((2S,4R)-4-amino-1-(2-chlorobenzylcarbamoyl)pyrrolidin-2-yl)methyl 4-ethylphenylcarbamate
IUPAC
[(2S,4R)-4-amino-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidin-2-yl]methyl N-(4-ethylphenyl)carbamate

Names & synonyms

SCHEMBL4795865ZKWLXLGQPYUENN-MJGOQNOKSA-N((2S,4R)-4-amino-1-(2-chlorobenzylcarbamoyl)pyrrolidin-2-yl)methyl 4-ethylphenylcarbamate

Database identifiers

PubChem CID
59778486

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
96.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
30

Related reactions

2 records
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Linked notes

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