(3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid
Basic information
- CAS
428518-41-6- Standard SMILES
O=C(O)[C@H]1CC(=O)N(CCO)C1- InChIKey
LYORUPRFHVMNOI-YFKPBYRVSA-N- Molecular formula
- C7H11NO4
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.06880783
Names & identifiers
- Preferred name
- (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- (3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid
Names & synonyms
(3S)-1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acidS3B6PB578W(3S)-1-(2-Hydroxyethyl)-5-oxo-3-pyrrolidinecarboxylic acid1-(2-Hydroxyethyl)-5-oxopyrrolidine-3-carboxylic acid, (3S)-3-Pyrrolidinecarboxylic acid, 1-(2-hydroxyethyl)-5-oxo-, (3S)-428518-41-6
Database identifiers
- CAS
428518-41-6- PubChem CID
- 7045754
- UNII
- S3B6PB578W
- Nikkaji
- J1.723.254A
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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