methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
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Basic information
- CAS
790644-51-8- Standard SMILES
COC(=O)[C@@H]1C[C@H](O)CN1- InChIKey
ZORHSASAYVIBLY-WHFBIAKZSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
Names & identifiers
- Preferred name
- methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
- IUPAC
- methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
- English name
- D-Proline, 4-hydroxy-, methyl ester, (4R)-rel- (9CI)
- Molecular formula
- C6H11NO3
- Molecular weight
- 145.16
Names & synonyms
81102-38-7methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate(2S,4S)-Methyl 4-hydroxypyrrolidine-2-carboxylate790644-51-8rac-methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylatecis-4-hydroxy-L-proline methyl ester(4S)-4-Hydroxy-L-proline methyl esterRel-methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylateSCHEMBL699327L-Proline, 4-hydroxy-, methyl ester, (4S)- (9CI)Methyl (4S)-4-hydroxyprolinateZORHSASAYVIBLY-WHFBIAKZSA-N
Show more names
D-Proline, 4-hydroxy-, methyl ester, (4R)-rel-D-Proline, 4-hydroxy-, methyl ester, (4R)-rel- (9CI)
AKOS000283834(cis)-4-hydroxy-L-proline, methyl esterCS-0184635L-Proline,4-hydroxy-,methyl ester,(4S)-EN300-148217EN300-250725F70401L-Proline, 4-hydroxy-, methyl ester, (4S)- (9CI) USP/EP/BP
Database identifiers
- CAS
790644-51-8- Nikkaji
- J856.941J
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 247.2 · 247.2±40.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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