Basic information
- CAS
117918-58-8- Standard SMILES
O=C(O)[C@@H]1CCCN1C(=O)c1cccs1- InChIKey
IILFMWQTZZFXTM-ZETCQYMHSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.04596439
Names & identifiers
- Preferred name
- (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
Names & synonyms
(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acidRefChem:397816964-567-4(Thiophene-2-carbonyl)-L-proline1-(Thiophene-2-carbonyl)proline(2S)-1-(thien-2-ylcarbonyl)pyrrolidine-2-carboxylic acidN-(2-Thienylcarbonyl)prolineSCHEMBL6290035IILFMWQTZZFXTM-ZETCQYMHSA-N1-(thien-2-ylcarbonyl)-L-prolineAKOS001132952CS-0217837
Show more names
EN300-87505G20563Z56922135(S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
Database identifiers
- CAS
117918-58-8- PubChem CID
- 714593
- EC Number
- 964-567-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
1 records
Compound notes
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