(3R,4R)-4-Hydroxy-1-methylpiperidine-3-carboxylic acid
Basic information
- CAS
716362-72-0- Standard SMILES
CN1CC[C@@H](O)[C@H](C(=O)O)C1- InChIKey
MHUFHLAYWGDGHK-PHDIDXHHSA-N- Molecular formula
- C7H13NO3
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.08954328
Names & identifiers
- Preferred name
- (3R,4R)-4-Hydroxy-1-methylpiperidine-3-carboxylic acid
- IUPAC
- (3R,4R)-4-hydroxy-1-methylpiperidine-3-carboxylic acid
- English name
- 3-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, (3R,4R)- (9CI)
- Molecular formula
- C7H13NO3
- Molecular weight
- 159.18
Names & synonyms
716362-72-0(3R,4R)-4-Hydroxy-1-methylpiperidine-3-carboxylic acidrac-(3R,4R)-4-hydroxy-1-methylpiperidine-3-carboxylic acid(3R,4R)-4-Hydroxy-1-methylpiperidine-3-carboxylicacidTRANS-4-HYDROXY-1-METHYLPIPERIDINE-3-CARBOXYLIC ACIDSCHEMBL13544648DTXSID606654123-Piperidinecarboxylicacid, 4-hydroxy-1-methyl-, (3R,4R)-AKOS006333875DB-179215CS-0455182F775648
Show more names
rel-(3R,4R)-4-hydroxy-1-methylpiperidine-3-carboxylic acid3-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, (3R,4R)-3-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, (3R,4R)- (9CI)(3R,4R)-4-hydroxy-1-methylpiperidine-3-carboxylic acid(SALTDATA: 0.8H2O 0.08KCl)
(3R,4R)-4-hydroxy-1-methyl-piperidine-3-carboxylic acid
Database identifiers
- CAS
716362-72-0- PubChem CID
- 45083293
- DTXSID
DTXSID60665412
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 343.2 · 343.2±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 3.24 · 3.24±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Compound notes
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