Basic information
- CAS
358674-85-8- Standard SMILES
CC(C)Oc1ccccc1C(=O)N1CCC[C@H]1C(=O)O- InChIKey
ASZHYBVNHOCPCG-LBPRGKRZSA-N- Molecular formula
- C15H19NO4
- Average molar mass
- 277.31 g/mol
- Monoisotopic mass
- 277.13140809
Names & identifiers
- Preferred name
- 1-(2-Isopropoxybenzoyl)proline
- IUPAC
- (2S)-1-(2-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
- English name
- 1-(2-Isopropoxy-benzoyl)-pyrrolidine-2-carboxylic acid
- Molecular formula
- C15H19NO4
- Molecular weight
- 277.32
Names & synonyms
358674-85-81-(2-Isopropoxybenzoyl)prolineL-Proline, 1-[2-(1-methylethoxy)benzoyl]-(S)-1-(2-Isopropoxybenzoyl)pyrrolidine-2-carboxylic acid(2S)-1-(2-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid1-[2-(1-Methylethoxy)benzoyl]-L-prolineDTXSID001281182(2S)-1-[2-(propan-2-yloxy)benzoyl]pyrrolidine-2-carboxylic acid1-{2-[(Propan-2-yl)oxy]benzoyl}-L-proline1-(2-Isopropoxy-benzoyl)-pyrrolidine-2-carboxylic acid
Database identifiers
- CAS
358674-85-8- PubChem CID
- 762169
- DTXSID
DTXSID001281182- Nikkaji
- J1.259.132B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 485.7 · 485.7±40.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 5.27 · 5.27±0.20(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
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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