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
- Formal charge
- 0
- Complexity
- 665
Related reactions
11 records
Compound notes
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