5-[(Tert-butoxycarbonylmethyl-methoxycarbonyl-amino)-methyl]-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester

HCID 66620318

Basic information

Standard SMILES
CCOC(=O)C1CCC(CN(CC(=O)OC(C)(C)C)C(=O)OC)N1C(=O)OC(C)(C)C
InChIKey
AXOCUAJQUIDWPA-UHFFFAOYSA-N
Molecular formula
C21H36N2O8
Average molar mass
444.5 g/mol

Names & identifiers

Preferred name
5-[(Tert-butoxycarbonylmethyl-methoxycarbonyl-amino)-methyl]-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester
IUPAC
1-O-tert-butyl 2-O-ethyl 5-[[methoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidine-1,2-dicarboxylate

Names & synonyms

SCHEMBL203774AXOCUAJQUIDWPA-UHFFFAOYSA-N5-[(tert-butoxycarbonylmethyl-methoxycarbonyl-amino)-methyl]-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester

Database identifiers

PubChem CID
66620318

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
112 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
31

Related reactions

11 records

Compound notes

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