Basic information
- CAS
172017-36-6- Standard SMILES
C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)CC(=O)OC(C)(C)C- InChIKey
ADQCLXOUUSIZAN-ZUZCIYMTSA-N- Molecular formula
- C15H27NO5
- Average molar mass
- 301.38 g/mol
- Monoisotopic mass
- 301.18892296
Names & identifiers
- Preferred name
- 3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-3-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2S-trans)-
- IUPAC
- tert-butyl (2S,3R)-3-hydroxy-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azetidine-1-carboxylate
Names & synonyms
DTXSID601107081172017-36-63-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-3-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2S-trans)-
Database identifiers
- CAS
172017-36-6- PubChem CID
- 165367282
- DTXSID
DTXSID601107081
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…