(3S)-5-oxo-1-((1R)-1-phenylethyl)pyrrolidine-3-carboxylic acid
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Basic information
- CAS
99735-44-1- Standard SMILES
C[C@H](c1ccccc1)N1C[C@@H](C(=O)O)CC1=O- InChIKey
CFGKWSDAMXTRHE-KOLCDFICSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- (3S)-5-oxo-1-((1R)-1-phenylethyl)pyrrolidine-3-carboxylic acid
- IUPAC
- (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
- English name
- (1'S, 3S)-1-(1'-PHENYLETHYL)-5-OXO-3-PYRROLIDINE CARBOXYLIC ACID
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid(3S)-5-Oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylic acid(3S)-5-Oxo-1-((1R)-1-phenylethyl)-3-pyrrolidinecarboxylic acid(3S)-5-oxo-1-((1R)-1-phenylethyl)pyrrolidine-3-carboxylic acidRefChem:401443892-563-199735-44-1(S)-5-Oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylic acid3-Pyrrolidinecarboxylic acid, 5-oxo-1-[(1R)-1-phenylethyl]-, (3S)-SCHEMBL3659883DTXSID501179805EN300-266695
Show more names
(1'S,3S)-1-(1'-PHENYLETHYL)-5-OXO-3- &(1S,3S)-1-(1'-PHENYLETHYL)-5-OXO-3-PYRROLIDINECARBOXYLIC ACID(1'S, 3S)-1-(1'-PHENYLETHYL)-5-OXO-3-PYRROLIDINE CARBOXYLIC ACID
Database identifiers
- CAS
99735-44-1- PubChem CID
- 723632
- DTXSID
DTXSID501179805- EC Number
- 892-563-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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