(S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid
Basic information
- CAS
1217671-12-9- Standard SMILES
C#CC[C@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C- InChIKey
NZGJCBRBXVANRO-CYBMUJFWSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- (S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-ynylpyrrolidine-2-carboxylic acid
- English name
- Boc-(R)-alpha-propynyl-proline
- Molecular formula
- C13H19NO4
- Molecular weight
- 253.29
Names & synonyms
1217671-12-9(S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acidBoc-(S)-alpha-propynyl-proline(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-ynylpyrrolidine-2-carboxylic acidMFCD06659384Boc-(S)-alpha-propynylproline(S)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylicacidBoc-(R)-alpha-propynyl-prolineN-(t-Butoxycarbonyl)-2-propynyl-D-proline(2S)-1-tert-butoxycarbonyl-2-prop-2-ynyl-pyrrolidine-2-carboxylic acidDTXSID90428037N-Boc-(S)-a-(2-propynyl)-proline
Show more names
Boc-(S)-α-Propynyl-proline(2S)-1-[(tert-butoxy)carbonyl]-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid1,2-Pyrrolidinedicarboxylic acid, 2-(2-propyn-1-yl)-, 1-(1,1-dimethylethyl) ester, (2S)-
AKOS016843504PS-12641DB-336294CS-0108587(Tert-Butoxy)Carbonyl (S)-Alpha-Propynyl-ProF94070F2354541-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)-D-proline
Database identifiers
- CAS
1217671-12-9- PubChem CID
- 7145653
- DTXSID
DTXSID90428037
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 371.8 · 371.8±27.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.73 · 3.73±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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