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L-Carnitine

Athanor · official

C7H15NO3 · 161.2 g/mol

IUPAC name: (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate

Also called levocarnitine, vitamin BT

Amino acids
Open in Athanor
The structure of L-Carnitine
Drawn from its SMILES with RDKit
Harmful or irritantWarningCauses skin irritation · Causes serious eye irritation

Names and identifiers

IUPAC name
(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
Synonyms
levocarnitine, vitamin BT, Levocarnitine
+ 36 more

Carnitor, (-)-Carnitine, (-)-L-Carnitine, L-(-)-Carnitine, Karnitin, Levocarnitina, Carnitene, Metina, Carnitine, (-)-, Levocarnitinum, Carnitolo, Carnovis, Lefcar, (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate, (3R)-3-hydroxy-4-(trimethylammonio)butanoate, Carnitor SF, Carnicor, gamma-Trimethyl-beta-hydroxybutyrobetaine, levocarnitine HCl, gamma-Trimethyl-ammonium-beta-hydroxybutirate, 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt, 3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium, L-gamma-trimethyl-beta-hydroxybutyrobetaine, R-(-)-3-hydroxy-4-trimethylaminobutyrate, NSC-759132, 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, (R)-, 0G389FZZ9M, gamma-Trimethyl-hydroxybutyrobetaine, Cardiogen, DTXSID4023208, CHEBI:16347, Oristar lch, Miotonal, Miocor, Levocarnil, Nefrocarnit

Molecular formula
C7H15NO3
Empirical formula
C7H15NO3
Molecular weight
161.2 g/mol
Exact mass
161.10519
CAS number
541-15-1
PubChem CID
10917
Canonical SMILES
C[N+](C)(C)CC(CC(=O)[O-])O
Isomeric SMILES
C[N+](C)(C)C[C@@H](CC(=O)[O-])O
InChI
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1
InChIKey
PHIQHXFUZVPYII-ZCFIWIBFSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

Appearance
White, crystalline, hygroscopic powder[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
11
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.86
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4 computed here · PubChem 3
TPSA (Ų)
60.4
Formal charge
0
XLogP3
-0.2 PubChem
Complexity
134 PubChem
Stereocenters
1 definedCIP: C6: R
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C52.16%
  • H9.38%
  • N8.69%
  • O29.77%

Isotope pattern

100%161.1058.2%162.108163.110

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
-1.81 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.56 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
4.16 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 161.2
  • log P ≤ 5 (Crippen): -1.81
  • H-bond donors ≤ 5: 1
  • H-bond acceptors ≤ 10: 3

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 1,511 company reports to ECHA. Source [2].

  • Harmful or irritant
  • H315Causes skin irritation (89.5% of reports)
  • H319Causes serious eye irritation (89.5% of reports)

Precautionary statements: P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

View all classifications (2)
  • [2] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 10.5% (159 of 1511) of reports.
  • [2] European Chemicals Agency (ECHA) · 1,511 reports · WarningH315, H319

Safety data sheets on the supplier’s page: Alfa Chemistry, Shenghe Chemical, eNovation Chemicals.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  2. [2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  7. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  8. ·Literature on PubChem

Data last updated 2026-10-14.