Basic information
- CAS
72549-59-8- Standard SMILES
CC(C)C(NC(=O)C1CSC(C)(C)N1C=O)C(=O)O- InChIKey
RXOMZXGFQGPMJV-UHFFFAOYSA-N- Molecular formula
- C12H20N2O4S
- Average molar mass
- 288.37 g/mol
- Monoisotopic mass
- 288.1143783
Names & identifiers
- Preferred name
- N-(3-Formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)valine
- IUPAC
- 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]-3-methylbutanoic acid
Names & synonyms
72549-59-8NSC356804DTXSID30320263N-(3-Formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)valineNSC-356804
Database identifiers
- CAS
72549-59-8- PubChem CID
- 337765
- DTXSID
DTXSID30320263
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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