Felinine, (+/-)-
Basic information
- CAS
168639-57-4- Standard SMILES
CC(C)(CCO)SCC(N)C(=O)O- InChIKey
IFERABFGYYJODC-UHFFFAOYSA-N- Molecular formula
- C8H17NO3S
- Average molar mass
- 207.29 g/mol
- Monoisotopic mass
- 207.09291458
Names & identifiers
- Preferred name
- Felinine, (+/-)-
- IUPAC
- 2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoic acid
Names & synonyms
Felinine, (+/-)-(+/-)-Felinine [MI]168639-57-4UNII-38H7SG9W7J38H7SG9W7J2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoic acidDL-Cysteine, S-(3-hydroxy-1,1-dimethylpropyl)-(+/-)-felinineSCHEMBL4186936IFERABFGYYJODC-UHFFFAOYSA-N(3-Hydroxy-1,1-dimethylpropyl)cysteine #Q27256788
Database identifiers
- CAS
168639-57-4- PubChem CID
- 534472
- UNII
- 38H7SG9W7J
- Nikkaji
- J689.023G
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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