(3S,4S)-4-Amino-2,2,6,6-tetramethylpiperidine-3-carboxylic acid-1-oxyl
Basic information
- CAS
691364-98-4- Standard SMILES
CC1(C)C[C@H](N)[C@H](C(=O)O)C(C)(C)N1[O]- InChIKey
WMLWKMCEFYZLTC-NKWVEPMBSA-N- Molecular formula
- C10H19N2O3
- Average molar mass
- 215.27 g/mol
- Monoisotopic mass
- 215.13956747
Names & identifiers
- Preferred name
- (3S,4S)-4-Amino-2,2,6,6-tetramethylpiperidine-3-carboxylic acid-1-oxyl
- English name
- (3S,4S)-4-Amino-1-oxyl-2,2,6,6-(3R,4R)-tetramethylpiperidine-3-carboxylic acid
- Molecular formula
- C10H19N2O3*
- Molecular weight
- 215.27
Names & synonyms
691364-98-4(3S,4S)-4-Amino-2,2,6,6-tetramethylpiperidine-3-carboxylic acid-1-oxylDTXSID90618936[(3S,4S)-4-Amino-3-carboxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanyl1-Piperidinyloxy, 4-amino-3-carboxy-2,2,6,6-tetramethyl-, (3S,4S)-BETA-TOAC(3S,4S)-4-AMino-3-carboxy-2,2,6,6-tetraMethyl-1-piperidinyloxy(3S,4S)-4-Amino-1-oxyl-2,2,6,6-(3R,4R)-tetramethylpiperidine-3-carboxylic acid
Database identifiers
- CAS
691364-98-4- PubChem CID
- 46780321
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- solubility
- soluble in No data available
Chemistry & industry
Applications
UsesThe first spin-labelled, cyclic, chiral -amino acid resolved in an enantiomerically pure state.
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Related reactions
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Compound notes
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