Ethyl (R)-nipecotate L-tartarate

C₁₂H₂₁NO₈CAS 167392-57-6307.30 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Ester Secondary amine

Properties

Molecular formula: C₁₂H₂₁NO₈
Molar mass: 307.30 g/mol
Exact mass: 307.1267 Da
logP: -1.57Crippen estimate
Polar surface area: 153.4 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 5
Stereocentres: R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

167392-57-6

SMILES

CCOC(=O)[C@@H]1CCCNC1.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

InChIKey

HHPGQKZOPPDLNH-NWAAXCJESA-N

InChI

InChI=1S/C8H15NO2.C4H6O6/c1-2-11-8(10)7-4-3-5-9-6-7;5-1(3(7)8)2(6)4(9)10/h7,9H,2-6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t7-;1-,2-/m11/s1

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Names and synonyms

1 names

Ethyl (R)-nipecotate L-tartrate

Work with Ethyl (R)-nipecotate L-tartarate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined (-)-Ethyl nipecotate25137-01-3Free base (+)-Ethyl nipecotate37675-18-6Free base, enantiomer Ethyl nipecotate5006-62-2Free base, stereo not defined Ethyl nipecotate71962-74-8Free base, stereo not defined Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt

Similar compounds

Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-057 % similar (-)-Nipecotic acid25137-00-254 % similar Nipecotic acid498-95-354 % similar (S)-(+)-Nipecotic acid59045-82-854 % similar Nipecotic acid60252-41-754 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-750 % similar Methyl piperidine-3-carboxylate50585-89-250 % similar Ethyl isonipecotate1126-09-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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