Basic information
- CAS
117821-12-2- Standard SMILES
O=C(O)[C@H]1NCC[C@@H](O)[C@@H]1O- InChIKey
SUCGXPHEYBRFIL-WISUUJSJSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.06880783
Names & identifiers
- Preferred name
- 2-Piperidinecarboxylic acid, 3,4-dihydroxy-, (2S-(2alpha,3beta,4alpha)
- IUPAC
- (2S,3R,4R)-3,4-dihydroxypiperidine-2-carboxylic acid
Names & synonyms
2S,3R,4R-3,4-Dihydroxypipecolic acid117821-12-22-Piperidinecarboxylic acid, 3,4-dihydroxy-, (2S-(2alpha,3beta,4alpha)DTXSID60151921RefChem:265453DTXCID1074412(2S,3R,4R)-3,4-dihydroxypiperidine-2-carboxylic acidSCHEMBL9724466(2s,3r,4r)-3,4-dihydroxypipecolic acid2-Piperidinecarboxylic acid, 3,4-dihydroxy-, [2S-(2a,3b,4a)
Database identifiers
- CAS
117821-12-2- PubChem CID
- 452016
- DTXSID
DTXSID60151921- Nikkaji
- J3.490.163E
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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