Basic information
- Standard SMILES
COC(=O)C1CC(CO)CN1C(=O)OC(C)(C)C- InChIKey
CABWKOSZCAHYJE-UHFFFAOYSA-N- Molecular formula
- C12H21NO5
- Average molar mass
- 259.3 g/mol
Names & identifiers
- Preferred name
- 1-(tert-Butyl) 2-methyl 4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-methyl 4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
Names & synonyms
1188543-28-31-(tert-Butyl) 2-methyl 4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate2674113-08-5SCHEMBL205082CABWKOSZCAHYJE-UHFFFAOYSA-N1-O-tert-butyl 2-O-methyl 4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylateSB12500SB12501SB12502DB-115542DB-115545O1-tert-butyl O2-methyl 4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
Show more names
4-Hydroxymethyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
Database identifiers
- PubChem CID
- 23595753
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
24 records
Linked notes
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