Synonyms: (-)-Acetylcarnitine | ALCAR | L-Acetylcarnitine | Levocarnitine acetyl | O-Acetyl-L-carnitine
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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4
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Hydrogen bond donors
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0
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Rotatable bonds
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6
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Topological polar surface area
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66.43
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Molecular weight
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203.12
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XLogP
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-1
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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[O-]C(=O)C[C@H](C[N+](C)(C)C)OC(=O)C
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Isomeric SMILES
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[O-]C(=O)C[C@H](C[N+](C)(C)C)OC(=O)C
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InChI
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InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1
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InChI Key
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RDHQFKQIGNGIED-MRVPVSSYSA-N
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