4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-isobutyl ester
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Basic information
- Standard SMILES
CC(C)COC(=O)N1CC(O)CC1C(=O)O- InChIKey
OUVWVZXFLLDJCI-UHFFFAOYSA-N- Molecular formula
- C10H17NO5
- Average molar mass
- 231.25 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-isobutyl ester
- IUPAC
- 4-hydroxy-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carboxylic acid
Names & synonyms
MLS000030714Oprea1_811829CHEMBL1883256HMS2421J20AKOS000204043SMR0000101764-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-isobutyl ester
Database identifiers
- PubChem CID
- 646507
- ChEMBL
CHEMBL1883256
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
1 records
Compound notes
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