2-Benzyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Basic information
- CAS
89314-95-4- Standard SMILES
CC1(C)SC(Cc2ccccc2)NC1C(=O)O- InChIKey
XMKNVXZWKMLEQH-UHFFFAOYSA-N- Molecular formula
- C13H17NO2S
- Average molar mass
- 251.35 g/mol
- Monoisotopic mass
- 251.09799996
Names & identifiers
- Preferred name
- 2-Benzyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 2-benzyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Names & synonyms
89314-95-42-Benzyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acidDTXSID50600317
Database identifiers
- CAS
89314-95-4- PubChem CID
- 19821026
- DTXSID
DTXSID50600317
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…