(5S)-1-(tert-Butoxycarbonyl)-5-methyl-L-proline
Basic information
- CAS
296775-05-8- Standard SMILES
C[C@H]1CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C- InChIKey
BSAYEGDCKUEPNE-YUMQZZPRSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
Names & identifiers
- Preferred name
- (5S)-1-(tert-Butoxycarbonyl)-5-methyl-L-proline
- IUPAC
- (2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- English name
- (2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid
- Molecular formula
- C11H19NO4
- Molecular weight
- 229.27
Names & synonyms
334769-80-1(5s)-1-(tert-butoxycarbonyl)-5-methyl-l-prolineDTXSID00573547RefChem:209615DTXCID20524319(2S,5S)-1-(TERT-BUTOXYCARBONYL)-5-METHYLPYRROLIDINE-2-CARBOXYLIC ACID(2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acidMFCD13185989(2S,5S)-1-BOC-5-methylpyrrolidine-2-carboxylic acid296775-05-8(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid(2S,5S)-1-[(tert-butoxy)carbonyl]-5-methylpyrrolidine-2-carboxylic acid
Show more names
rac-(2R,5R)-1-[(tert-butoxy)carbonyl]-5-methylpyrr olidine-2-carboxylic acid
cis-1-(tert-Butoxycarbonyl)-5-methylpyrrolidine-2-carboxylic acid(2S,55)-1-(tert-butoxycarbonyl)-5-methylpyrrolidine-2-carboxylic acid(2S,5S)-Boc-5-methylpyrrolidine-2-carboxylic acidBoc-cis-5-Me-Pro-OHSCHEMBL192488(2s,5s)-N-boc-5-methylprolineBSAYEGDCKUEPNE-YUMQZZPRSA-NCS-D0422
Database identifiers
- CAS
296775-05-8- EC Number
- 180-411-0
- Nikkaji
- J1.400.912D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 343.199 · 343.199±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.019 · 4.019±0.40(predicted)
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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