cis-(1S,2R)-2-azaniumylcyclopentane-1-carboxylate
Basic information
- CAS
64191-14-6- Standard SMILES
[NH3+][C@@H]1CCC[C@@H]1C(=O)[O-]- InChIKey
JWYOAMOZLZXDER-CRCLSJGQSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Overview
See also: (1S,2R)-2-Aminocyclopentane-1-carboxylic acid (preferred).
Names & identifiers
- Preferred name
- cis-(1S,2R)-2-azaniumylcyclopentane-1-carboxylate
- IUPAC
- cis-(1S,2R)-2-azaniumylcyclopentane-1-carboxylate
- English name
- (1S,2R)-2-Aminocyclopentanecarboxylic acid
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
64191-14-6(+)-Cispentacin(+)-Cispentacin.2α-Aminocyclopentane-1α-carboxylic acid(1α)-2α-Aminocyclopentanecarboxylic acid(1S,2R)-2-Aminocyclopentanecarboxylicaci(1S,2R)-2-Aminocyclopentanecarboxylic acid(1S,2R)-2-AMINO-CYCLOPETANECARBOXYLIC ACID(1S)-2α-Aminocyclopentane-1α-carboxylic acid(1S)-2α-Amino-1α-cyclopentanecarboxylic acid
Database identifiers
- CAS
64191-14-6- PubChem CID
- 6919062
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 218 · 218-219 °C (sublm)(Solv: water (7732-18-5); acetone (67-64-1))
- Boiling point
- 264.7 · 264.7±33.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 3.87 · 3.87±0.20(Predicted)
- FDA UNII
- 8 T23SQM · SCU8T23SQM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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