(2S)-1-tert-butylazetidine-2-carboxylic acid
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Basic information
- CAS
255883-03-5- Standard SMILES
CC(C)(C)N1CC[C@H]1C(=O)O- InChIKey
DGBAPZLVXNOENB-LURJTMIESA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- (2S)-1-tert-butylazetidine-2-carboxylic acid
- IUPAC
- (2S)-1-tert-butylazetidine-2-carboxylic acid
- English name
- 2-Azetidinecarboxylicacid,1-(1,1-dimethylethyl)-,(2S)-(9CI)
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
(2S)-1-tert-butylazetidine-2-carboxylic acid255883-03-5AC1LH7IISCHEMBL5702250DTXSID80357660DB-362401(S)-1-TERT-BUTYL-2-AZETIDINECARBOXYLIC ACID(2S)-1-(1,1-Dimethylethyl)-2-azetidinecarboxylic acid2-Azetidinecarboxylic acid, 1-(1,1-dimethylethyl)-, (2S)-2-Azetidinecarboxylicacid,1-(1,1-dimethylethyl)-,(2S)-(9CI)
Database identifiers
- CAS
255883-03-5- PubChem CID
- 858211
- DTXSID
DTXSID80357660
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 241 ℃ · 241℃
- Density
- 1.118 · 1.118
- Flash point
- 100 ℃ · 100℃
- pka
- 2.37 · 2.37±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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