Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C(N)=O)S(=O)(=O)CC(Cc1ccccc1)C(=O)O- InChIKey
YCPDPIBRXZSIDJ-UHFFFAOYSA-N- Molecular formula
- C14H19NO5S
- Average molar mass
- 313.37 g/mol
Names & identifiers
- Preferred name
- Rac-alpha-[[(1-carbamoyl-1-methylethyl)sulfonyl]methyl]hydrocinnamic acid
- IUPAC
- 2-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfonylmethyl]-3-phenylpropanoic acid
Names & synonyms
SCHEMBL9261592YCPDPIBRXZSIDJ-UHFFFAOYSA-Nrac-alpha-[[(1-carbamoyl-1-methylethyl)sulfonyl]methyl]hydrocinnamic acid
Database identifiers
- PubChem CID
- 54501271
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 486
Related reactions
2 records
Compound notes
Loading…