Basic information
- CAS
161364-63-2- Standard SMILES
COc1ccccc1OCC1SCCN1C(=O)CC(=O)O- InChIKey
GVOZKQGYCKWOJP-UHFFFAOYSA-N- Molecular formula
- C14H17NO5S
- Average molar mass
- 311.36 g/mol
- Monoisotopic mass
- 311.08274382
Names & identifiers
- Preferred name
- 3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-
- IUPAC
- 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanoic acid
Names & synonyms
2-((2-Methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid161364-63-23-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-RefChem:282720CHEMBL151659SCHEMBL9494330DTXSID309365003-{2-[(2-Methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl}-3-oxopropanoic acid
Database identifiers
- CAS
161364-63-2- PubChem CID
- 3074751
- DTXSID
DTXSID30936500- ChEMBL
CHEMBL151659- Nikkaji
- J3.082.132G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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