methyl (3R,4R)-4-amino-3-hydroxy-4-methylpiperidine-1-carboxylate
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Basic information
- CAS
724790-30-1- Standard SMILES
COC(=O)N1CC[C@@](C)(N)[C@H](O)C1- InChIKey
VJKWUYUMHWMEBM-HTRCEHHLSA-N- Molecular formula
- C8H16N2O3
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.11609238
Names & identifiers
- Preferred name
- methyl (3R,4R)-4-amino-3-hydroxy-4-methylpiperidine-1-carboxylate
- IUPAC
- methyl (3R,4R)-4-amino-3-hydroxy-4-methylpiperidine-1-carboxylate
- English name
- 1-Piperidinecarboxylicacid,4-amino-3-hydroxy-4-methyl-,methylester,
- Molecular formula
- C8H16N2O3
- Molecular weight
- 188.22
Names & synonyms
SCHEMBL30558281-Piperidinecarboxylic acid, 4-amino-3-hydroxy-4-methyl-, methyl ester, (3R,4R)-rel-
Database identifiers
- CAS
724790-30-1- PubChem CID
- 68495798
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 296.8 · 296.8±40.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 14.39 · 14.39±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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