bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate

C20H24N2O5 — CID 138688169

IUPACbis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate
SMILESCCc1nc(C)ccc1OC(=O)C[C@H](O)C(=O)Oc1ccc(C)nc1CC
InChIInChI=1S/C20H24N2O5/c1-5-14-17(9-7-12(3)21-14)26-19(24)11-16(23)20(25)27-18-10-8-13(4)22-15(18)6-2/h7-10,16,23H,5-6,11H2,1-4H3/t16-/m0/s1
InChIKeyLSRYORAEVWYLAR-INIZCTEOSA-N
MW372.42 g/mol
LogP2.48
Rot. Bonds7

About bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate

bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate (PubChem CID 138688169) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate.

Molecular Properties

Compound Namebis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate
PubChem CID138688169
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namebis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate
SMILESCCc1nc(C)ccc1OC(=O)C[C@H](O)C(=O)Oc1ccc(C)nc1CC
InChIInChI=1S/C20H24N2O5/c1-5-14-17(9-7-12(3)21-14)26-19(24)11-16(23)20(25)27-18-10-8-13(4)22-15(18)6-2/h7-10,16,23H,5-6,11H2,1-4H3/t16-/m0/s1
InChIKeyLSRYORAEVWYLAR-INIZCTEOSA-N
XLogP2.48
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
3-(dimethylamino)propyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;hydrochloride
CID 110168512
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
ethyl 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79169271
4-amino-3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103174395
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
2,3-dihydroxybutanedioic acid;2-ethyl-6-methylpyridin-3-ol
CID 17371099
2-amino-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103175349
(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol
CID 103175163
5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid
CID 103174527
ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151521

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate?
The IUPAC name of bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate (CID 138688169) is bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate.
What is the SMILES notation for bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate?
The canonical SMILES for bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate is CCc1nc(C)ccc1OC(=O)C[C@H](O)C(=O)Oc1ccc(C)nc1CC.
What is the InChIKey of bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate?
The InChIKey is LSRYORAEVWYLAR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-5-14-17(9-7-12(3)21-14)26-19(24)11-16(23)20(25)27-18-10-8-13(4)22-15(18)6-2/h7-10,16,23H,5-6,11H2,1-4H3/t16-/m0/s1.
What are the key properties of bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate?
bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate has a molecular weight of 372.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate is sourced from PubChem (CID 138688169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).