Basic information
- Standard SMILES
CCOC(=O)SCCC(=O)N1CCC[C@H]1C(=O)O- InChIKey
DNAMLNNQHFZSQP-QMMMGPOBSA-N- Molecular formula
- C11H17NO5S
- Average molar mass
- 275.32 g/mol
- Monoisotopic mass
- 275.08274382
Names & identifiers
- Preferred name
- 1-[3-[[(ethoxy)carbonyl]thio]propanoyl]-L-proline
- IUPAC
- (2S)-1-(3-ethoxycarbonylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL11545173DNAMLNNQHFZSQP-QMMMGPOBSA-N1-[3-[[(ethoxy)carbonyl]thio]propanoyl]-L-proline
Database identifiers
- PubChem CID
- 53768599
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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