(+)-Carnitine

C7H15NO3CAS 541-14-0161.20 g/mol

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

Properties

Molecular formula
C7H15NO3
Molar mass
161.20 g/mol
Exact mass
161.1052 Da
logP
-1.81Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
541-14-0
SMILES
C[N+](C)(C)C[C@@H](O)CC(=O)[O-]
InChIKey
PHIQHXFUZVPYII-LURJTMIESA-N
InChI
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (2S)-
  • Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, D-
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (S)-
  • d-Carnitine
  • D-(+)-Carnitine
  • (+)-D-Carnitine
  • (S)-3-Hydroxy-4-(trimethylammonio)butanoate

Work with (+)-Carnitine

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.

(-)-Carnitine541-15-1Enantiomer (±)-Carnitine461-06-3Stereo not defined Carnitine chloride461-05-2Salt, stereo not defined L-(-)-Carnitine hydrochloride6645-46-1Salt, enantiomer Carnitine tartrate36687-82-8Salt, enantiomer (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-4Salt L-Carnitine orotate160468-17-7Salt, enantiomer L-Carnitine acid fumarate90471-79-7Salt, enantiomer

Similar compounds

Acetyl-DL-carnitine14992-62-251 % similar (±)-Acetylcarnitine chloride2504-11-248 % similar Acetyl L-carnitine hydrochloride5080-50-248 % similar Trimethylglycine107-43-747 % similar (2-Hydroxytrimethylene)bis[trimethylammonium iodide]123-47-747 % similar Dromos119793-66-744 % similar Sodium 3-hydroxybutyrate150-83-443 % similar Sodium 3-hydroxybutyrate306-31-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

O-(1,1-Dimethylethyl)-D-serine18783-53-4 O-(1,1-Dimethylethyl)-L-serine18822-58-7 tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-2 Rel-(5R,6S)-6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol79944-37-9

Elsewhere

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