Basic information
- Standard SMILES
CC(=O)SCC1CCCCCCC(C(=O)O)NC1=O- InChIKey
JNSGCXKEBNBERY-UHFFFAOYSA-N- Molecular formula
- C13H21NO4S
- Average molar mass
- 287.38 g/mol
- Monoisotopic mass
- 287.11912932
Names & identifiers
- Preferred name
- 9-(Acetylsulfanylmethyl)-10-oxoazecane-2-carboxylic acid
- IUPAC
- 9-(acetylsulfanylmethyl)-10-oxoazecane-2-carboxylic acid
Names & synonyms
SCHEMBL7386472
Database identifiers
- PubChem CID
- 19930824
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
8 records
Compound notes
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