Basic information
- CAS
1087712-61-5- Standard SMILES
CCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1- InChIKey
KWBZJFGNEJPPKS-YPMHNXCESA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
Names & identifiers
- Preferred name
- (2R,3R)-1-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- (2R,3R)-1-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
- English name
- (2R,3R)-1-Ethyl-2-(4-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
- Molecular formula
- C14H17NO4
- Molecular weight
- 263.29
Names & synonyms
1087712-61-5(2R,3R)-1-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid(2R,3R)-1-ETHYL-2-(4-METHOXY-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID(2R,3R)-1-ethyl-2-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylic AcidMFCD08277076SBB014461STK691782AKOS000302214AKOS015838669CS-0440931EN300-363922(2R,3R)-1-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylicacid
Show more names
3-Pyrrolidinecarboxylic acid, 1-ethyl-2-(4-methoxyphenyl)-5-oxo-, (2R,3R)-
Database identifiers
- CAS
1087712-61-5
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…