Basic information
- CAS
852857-11-5- Standard SMILES
COC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1- InChIKey
BENQIPNJLDAXAT-ZYHUDNBSSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- (R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate
- IUPAC
- methyl (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
- English name
- (R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
99735-45-2(R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylatemethyl (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylateMFCD12963552852857-11-5methyl (R)-5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate(R)-METHYL 5-OXO-1-[(R)-1-PHENYLETHYL]PYRROLIDINE-3-CARBOXYLATE(R)-Methyl-5-oxo-1-((R)-phenethyl)pyrrolidine-3-carboxylate3-Pyrrolidinecarboxylic acid, 5-oxo-1-[(1R)-1-phenylethyl]-, methyl ester, (3R)-rel-SCHEMBL1713280DTXSID00469830BENQIPNJLDAXAT-ZYHUDNBSSA-N
Show more names
(R)-5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylic acidMethyl (3R)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylate(1R,3R)-5-oxo-1-(1-phenyl-ethyl)-pyrrolidine-3-carboxylic acid methyl ester3-Pyrrolidinecarboxylic acid, 5-oxo-1-[(1R)-1-phenylethyl]-, methyl ester, (3R)-
(R)-methyl5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylateAKOS015891526methyl(3r)-5-oxo-1-[(r)-1-phenylethyl]pyrrolidin-3-yl-carboxylatemethyl (3R)-5-oxo-1-[(R)-1-phenylethyl]pyrrolidin-3-yl-carboxylate
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 68 · 68-69 °C
- Boiling point
- 395.2 · 395.2±42.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.99 · -1.99±0.40(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
Related reactions
4 records
Compound notes
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