4-(2-Oxo-Hexahydro-Thieno(3,4-D)Imidazol-4-Yl)-Butyricacid
Basic information
- CAS
669-72-7- Standard SMILES
O=C(O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21- InChIKey
AINAXQHKYSZESH-HAFWLYHUSA-N- Molecular formula
- C9H14N2O3S
- Average molar mass
- 230.29 g/mol
- Monoisotopic mass
- 230.07251349
Names & identifiers
- Preferred name
- 4-(2-Oxo-Hexahydro-Thieno(3,4-D)Imidazol-4-Yl)-Butyricacid
- IUPAC
- 4-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butanoic acid
Names & synonyms
4-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Butyricacid4-(2-Oxo-Hexahydro-Thieno(3,4-D)Imidazol-4-Yl)-Butyricacid4-((3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno(3,4-d)imidazolidin-4-yl)butanoic acid4-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]butanoic acidRefChem:512713NORBIOTIN669-72-74-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)butanoic acid4-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butanoic acidSCHEMBL16379530DTXSID403322364-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID
Show more names
DB02674NS00070064Q27093623
Database identifiers
- CAS
669-72-7- PubChem CID
- 446903
- DTXSID
DTXSID40332236
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…