(1S,2R)-1-amino-2-ethylcyclopropanecarboxylic acid
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Basic information
- CAS
65878-54-8- Standard SMILES
CC[C@@H]1C[C@@]1(N)C(=O)O- InChIKey
RLHIWMRQDUCBDO-XINAWCOVSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
Overview
(1S,2R)-1-amino-2-ethylcyclopropanecarboxylic acid is a 1-amino-2-ethylcyclopropanecarboxylic acid.
Names & identifiers
- Preferred name
- (1S,2R)-1-amino-2-ethylcyclopropanecarboxylic acid
- IUPAC
- cis-(1S,2R)-1-amino-2-ethylcyclopropane-1-carboxylic acid
- English name
- Cyclopropanecarboxylic acid, 1-amino-2-ethyl-, (1R,2S)-rel- (9CI)
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
(1S,2R)-1-amino-2-ethylcyclopropanecarboxylic acid65878-52-6(1S,2R)-1-Amino-2-ethylcyclopropane-1-carboxylic acid(+)-(1S,2R)-allocoronamic acid65878-54-8Rel-(1R,2S)-1-amino-2-ethylcyclopropane-1-carboxylic acidCHEBI:18511DTXSID40451572AKOS006340640(1S,2R)-1-amino-2-ethylcyclopropanecarboxylicacidQ27109036Cyclopropanecarboxylic acid, 1-amino-2-ethyl-, (1R,2S)-rel-
Show more names
Cyclopropanecarboxylic acid, 1-amino-2-ethyl-, (1R,2S)-rel- (9CI)
Database identifiers
- CAS
65878-54-8- ChEBI
CHEBI:18511- Nikkaji
- J554.039I
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 238.1 · 238.1±23.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 2.99 · 2.99±0.50(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: (1R,2S)-1-amino-2-ethylcyclopropanecarboxylic acid is a 1-amino-2-ethylcyclopropanecarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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