(2R,3R)-3-(carboxymethyl)azetidine-2-carboxylic acid
Basic information
- CAS
185387-34-2- Standard SMILES
O=C(O)C[C@@H]1CN[C@H]1C(=O)O- InChIKey
FQUPICCTRPWMDZ-NQXXGFSBSA-N- Molecular formula
- C6H9NO4
- Average molar mass
- 159.14 g/mol
Names & identifiers
- Preferred name
- (2R,3R)-3-(carboxymethyl)azetidine-2-carboxylic acid
- IUPAC
- (2R,3R)-3-(carboxymethyl)azetidine-2-carboxylic acid
- English name
- 3-Azetidineaceticacid,2-carboxy-,(2R-trans)-(9CI)
- Molecular formula
- C6H9NO4
- Molecular weight
- 159.14
Names & synonyms
185387-34-2(2R,3R)-3-(carboxymethyl)azetidine-2-carboxylic acid3-Azetidineacetic acid, 2-carboxy-, (2R,3R)-3-Azetidineaceticacid,2-carboxy-,(2R-trans)-(9CI)
Database identifiers
- CAS
185387-34-2
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 428.6 · 428.6±30.0 °C(Predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- pka
- 2.11 · 2.11±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…