Basic information
- Standard SMILES
CCOC(=O)C1(C)NC(C(=O)O)CS1- InChIKey
HDDMIKXHZLVXSA-UHFFFAOYSA-N- Molecular formula
- C8H13NO4S
- Average molar mass
- 219.26 g/mol
- Monoisotopic mass
- 219.05652907
Names & identifiers
- Preferred name
- 2-Methylthiazolidine-2,4-dicarboxylic acid 2-ethyl ester
- IUPAC
- 2-ethoxycarbonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
Names & synonyms
SCHEMBL14836667HDDMIKXHZLVXSA-UHFFFAOYSA-N2-methylthiazolidine-2,4-dicarboxylic acid 2-ethyl ester
Database identifiers
- PubChem CID
- 86680929
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
11 records
Compound notes
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