(S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride

C7H16ClNO3CAS 10017-44-4197.66 g/mol

Open in Covalent MOL file
N+OHOO−HCl
AlcoholCarboxylic acidQuaternary ammonium

Properties

Molecular formula
C7H16ClNO3
Molar mass
197.66 g/mol
Exact mass
197.0819 Da
Melting point
135–137 °C
logP
-1.38Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
10017-44-4
SMILES
C[N+](C)(C)C[C@@H](O)CC(=O)[O-].Cl
InChIKey
JXXCENBLGFBQJM-RGMNGODLSA-N
InChI
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1), (2S)-
  • Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, (+)-
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (S)-
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (2S)-
  • (+)-Carnitine hydrochloride
  • (S)-Carnitine hydrochloride
  • d-Carnitine chloride
  • (S)-3-Hydroxy-4-(trimethylammonio)butanoate hydrochloride

Work with (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride

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.

(-)-Carnitine541-15-1Parent compound, enantiomer (±)-Carnitine461-06-3Parent compound, stereo not defined (+)-Carnitine541-14-0Parent compound L-(-)-Carnitine hydrochloride6645-46-1Enantiomer Carnitine chloride461-05-2Stereo not defined Carnitine tartrate36687-82-8Salt, enantiomer L-Carnitine orotate160468-17-7Salt, enantiomer L-Carnitine acid fumarate90471-79-7Salt, enantiomer

Similar compounds

(±)-Acetylcarnitine chloride2504-11-255 % similar Acetyl L-carnitine hydrochloride5080-50-255 % similar Betaine chloride590-46-552 % similar Dromos119793-66-751 % similar Acetyl-DL-carnitine14992-62-248 % similar (3-Carboxypropyl)trimethylammonium chloride6249-56-546 % similar Trimethylglycine107-43-742 % similar (2-Hydroxytrimethylene)bis[trimethylammonium iodide]123-47-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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