Basic information
- Standard SMILES
COC(=O)[C@H]1C[C@H](OC(=O)N2CCCC2)CN[C@@H]1C(=O)O- InChIKey
LTKCSTJNTZXMID-GUBZILKMSA-N- Molecular formula
- C13H20N2O6
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.13213636
Names & identifiers
- Preferred name
- (2s,3s,5s)-3-(Methoxycarbonyl)-5-[(pyrrolidin-1-ylcarbonyl)oxy]piperidine-2-carboxylic acid
- IUPAC
- (2S,3S,5S)-3-methoxycarbonyl-5-(pyrrolidine-1-carbonyloxy)piperidine-2-carboxylic acid
Names & synonyms
SCHEMBL2174410LTKCSTJNTZXMID-GUBZILKMSA-N(2s,3s,5s)-3-(methoxycarbonyl)-5-[(pyrrolidin-1-ylcarbonyl)oxy]piperidine-2-carboxylic acid
Database identifiers
- PubChem CID
- 67304698
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Related reactions
4 records
Compound notes
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