Basic information
- CAS
138738-24-6- Standard SMILES
O=C(O)CNC(=O)CCCSc1ccccc1- InChIKey
ASZQZOKBUQEQGX-UHFFFAOYSA-N- Molecular formula
- C12H15NO3S
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.07726451
Names & identifiers
- Preferred name
- N-[1-Oxo-4-(phenylthio)butyl]glycine
- IUPAC
- 2-(4-phenylsulfanylbutanoylamino)acetic acid
Names & synonyms
N-[1-Oxo-4-(phenylthio)butyl]glycineDTXSID401289588AKOS008984640N-[4-(Phenylsulfanyl)butanoyl]glycine138738-24-6
Database identifiers
- CAS
138738-24-6- PubChem CID
- 43239031
- DTXSID
DTXSID401289588
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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