(2S)-1-propanoylpyrrolidine-2-carboxylic acid
Basic information
- CAS
59785-66-9- Standard SMILES
CCC(=O)N1CCC[C@H]1C(=O)O- InChIKey
DAOGFHQPAHSMQS-LURJTMIESA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- (2S)-1-propanoylpyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-propanoylpyrrolidine-2-carboxylic acid
Names & synonyms
59785-66-9(2S)-1-propanoylpyrrolidine-2-carboxylic acidDTXSID80350313RefChem:206869DTXCID003013821-propionyl-L-prolineMFCD12795271Propionyl-L-proline(S)-1-Propionylpyrrolidine-2-carboxylic acidN-propionylprolinepropanoyl-l-prolineN-propionyl-L-Pro
Show more names
N-propionyl-L-proline1-Propanoyl-L-prolineSCHEMBL4177769DAOGFHQPAHSMQS-LURJTMIESA-NSBB007612AKOS010373056BS-40577ST079742
Database identifiers
- CAS
59785-66-9- PubChem CID
- 676544
- DTXSID
DTXSID80350313- EC Number
- 999-199-3
- Nikkaji
- J406.491G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
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%)
Suppliers
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Related reactions
1 records
Compound notes
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