rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-cyclohexylpyrrolidine-3-carboxylic acid
Basic information
- CAS
1221278-29-0- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](C2CCCCC2)C1- InChIKey
UDCXRGMZEWXXTL-OLZOCXBDSA-N- Molecular formula
- C16H27NO4
- Average molar mass
- 297.39 g/mol
- Monoisotopic mass
- 297.19400834
Names & identifiers
- Preferred name
- rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-cyclohexylpyrrolidine-3-carboxylic acid
- IUPAC
- (3R,4R)-4-cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Names & synonyms
1221278-29-0rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-cyclohexylpyrrolidine-3-carboxylic acidrac-(3R,4R)-1-((tert-butoxy)carbonyl)-4-cyclohexylpyrrolidine-3-carboxylic acidRefChem:873879890-756-5(3R,4R)-4-Cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acidSCHEMBL23923813EN300-767583
Database identifiers
- CAS
1221278-29-0- PubChem CID
- 97640916
- EC Number
- 890-756-5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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