Basic information
- Standard SMILES
O=C(C(=O)N1CCCCC1C(=O)O)c1cccs1- InChIKey
LIMNURFUQMACDU-UHFFFAOYSA-N- Molecular formula
- C12H13NO4S
- Average molar mass
- 267.3 g/mol
Names & identifiers
- Preferred name
- 1-[1,2-Dioxo-2-(thien-2-yl)ethyl)-2-piperidinecarboxylic acid
- IUPAC
- 1-(2-oxo-2-thiophen-2-ylacetyl)piperidine-2-carboxylic acid
Names & synonyms
SCHEMBL5902080LIMNURFUQMACDU-UHFFFAOYSA-N1-[1,2-Dioxo-2-(thien-2-yl)ethyl)-2-piperidinecarboxylic acid
Database identifiers
- PubChem CID
- 9816804
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Related reactions
4 records
Compound notes
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