Trans Methyl O-benzyl-L-4-hydroxyproline
Basic information
- CAS
113490-76-9- Standard SMILES
COC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1- InChIKey
GYBYGFMCYASWNS-NEPJUHHUSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- Trans Methyl O-benzyl-L-4-hydroxyproline
- IUPAC
- methyl (2S,4R)-4-phenylmethoxypyrrolidine-2-carboxylate
- English name
- TRANS METHYL O-BENZYL-L-4-HYDROXYPROLINE
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.28
Names & synonyms
113490-76-9Trans Methyl O-benzyl-L-4-hydroxyprolinemethyl (2S,4R)-4-benzyloxypyrrolidine-2-carboxylateMethyl (2S,4R)-4-phenylmethoxypyrrolidine-2-carboxylate(2S,4R)-METHYL 4-(BENZYLOXY)PYRROLIDINE-2-CARBOXYLATEMFCD09878836(4R)-4-Benzyloxy-L-Proline methyl esterMETHYL (2S,4R)-4-(BENZYLOXY)PYRROLIDINE-2-CARBOXYLATE(2S,4R)-4-Benzyloxy-pyrrolidine-2-carboxylic acid methyl esterL-Proline, 4-(phenylmethoxy)-, methyl ester, (4R)-SCHEMBL15099494DTXSID50428634
Show more names
Methyl (4R)-4-(benzyloxy)-L-prolinatePS-20008CS-0099757trans-Methyl 4-(benzyloxy)pyrrolidine-2-carboxylate
Database identifiers
- CAS
113490-76-9- PubChem CID
- 7408697
- DTXSID
DTXSID50428634- Nikkaji
- J1.653.947C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 124 · 124-125 °C
- Boiling point
- 331.6 · 331.6±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 7.23 · 7.23±0.10(Predicted)
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Related reactions
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Compound notes
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