delta(sup 2,alpha)-Thiazolidineacetic acid, 3-methyl-4-oxo-5-pyrrolidin-1-yl-, ethyl ester
Basic information
- CAS
74007-95-7- Standard SMILES
CCOC(=O)/C=C1/SC(N2CCCC2)C(=O)N1C- InChIKey
HWOHDHRCYDZIOM-CMDGGOBGSA-N- Molecular formula
- C12H18N2O3S
- Average molar mass
- 270.35 g/mol
- Monoisotopic mass
- 270.10381361
Names & identifiers
- Preferred name
- delta(sup 2,alpha)-Thiazolidineacetic acid, 3-methyl-4-oxo-5-pyrrolidin-1-yl-, ethyl ester
- IUPAC
- ethyl (2E)-2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-1,3-thiazolidin-2-ylidene)acetate
Names & synonyms
delta(sup 2,alpha)-Thiazolidineacetic acid, 3-methyl-4-oxo-5-pyrrolidin-1-yl-, ethyl ester74007-95-7RefChem:1083104Acetic acid, 2-(3-methyl-4-oxo-5-pyrrolidin-1-yl-2-thiazolidinylidene)-, ethyl ester2-(3-Methyl-4-oxo-5-pyrrolidin-1-yl-2-thiazolidinylidene)acetic acid ethyl ester
Database identifiers
- CAS
74007-95-7- PubChem CID
- 6447375
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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