(2s,4s)-1-(Tert-butoxycarbonyl)-4-(pyridin-4-yloxy)pyrrolidine-2-carboxylic acid
Basic information
- CAS
1135196-06-3- Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H](Oc2ccncc2)C[C@H]1C(=O)O- InChIKey
OZKQVSFFOPXMGZ-RYUDHWBXSA-N- Molecular formula
- C15H20N2O5
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.13722174
Names & identifiers
- Preferred name
- (2s,4s)-1-(Tert-butoxycarbonyl)-4-(pyridin-4-yloxy)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-4-yloxypyrrolidine-2-carboxylic acid
Names & synonyms
1135196-06-3(2s,4s)-1-[(tert-butoxy)carbonyl]-4-(pyridin-4-yloxy)pyrrolidine-2-carboxylic acid(2s,4s)-1-(tert-butoxycarbonyl)-4-(pyridin-4-yloxy)pyrrolidine-2-carboxylic acidstarbld0008728(2S,4S)-1-[(tert-butoxy)carbonyl]-4-(pyridin-4-yloxy)pyrrolidine-2-carboxylicacidCS-0257710EN300-6759777
Database identifiers
- CAS
1135196-06-3- PubChem CID
- 24902609
- EC Number
- 183-694-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
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
0 records
No reaction records under the current filter.
Compound notes
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