(2R)-2-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Basic information
- CAS
3017121-07-9- Standard SMILES
C#C[C@@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C- InChIKey
JEQYARSZYUSJFV-LBPRGKRZSA-N- Molecular formula
- C12H17NO4
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.11575802
Names & identifiers
- Preferred name
- (2R)-2-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- IUPAC
- (2R)-2-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Names & synonyms
3017121-07-9(2R)-1-[(tert-butoxy)carbonyl]-2-ethynylpyrrolidine-2-carboxylic acid(R)-1-(tert-Butoxycarbonyl)-2-ethynylpyrrolidine-2-carboxylic acid
Database identifiers
- CAS
3017121-07-9- PubChem CID
- 148041981
- EC Number
- 176-749-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 387
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%)
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Related reactions
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Compound notes
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