2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid

C11H21NO3 — CID 3371803

IUPAC2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid
SMILESCC=CCC(C)C(O)C(C(=O)O)N(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-7-8(2)10(13)9(11(14)15)12(3)4/h5-6,8-10,13H,7H2,1-4H3,(H,14,15)
InChIKeyCOYQGLCTWTYPNM-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.96
Rot. Bonds6

About 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid

2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid (PubChem CID 3371803) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid
PubChem CID3371803
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid
SMILESCC=CCC(C)C(O)C(C(=O)O)N(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-7-8(2)10(13)9(11(14)15)12(3)4/h5-6,8-10,13H,7H2,1-4H3,(H,14,15)
InChIKeyCOYQGLCTWTYPNM-UHFFFAOYSA-N
XLogP0.96
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid
CID 5289446
(E,3S,7R,8R)-6-(dimethylamino)-7-hydroxy-2,8-dimethyl-3-(methylamino)dodec-10-ene-4,5-dione
CID 71315130
(E,2S,3R,4R)-2-amino-3-hydroxy-4-methyloct-6-enoic acid
CID 5282047
(E)-4-[tert-butyl(methyl)amino]-5-hydroxy-2,2,6-trimethyldec-8-en-3-one
CID 20675800
(3S,5R)-11,11,11-trideuterio-3-(dimethylamino)-4-hydroxy-5-methylundeca-7,9-dien-2-one
CID 90846585
(E)-2-[(E)-but-2-enyl]-3-methylhept-5-enoic acid
CID 20820807
2-(dimethylamino)-3-methyl-5-oxopentanoic acid
CID 175114199
ethane;(3S,5R)-8,9,9,9-tetradeuterio-3-(dimethylamino)-4-hydroxy-5-methylnon-7-en-2-one
CID 158517713
(E)-3-hydroxy-4-methyloct-6-enoic acid
CID 87602853
(E,3S,4R,5R)-4-hydroxy-5-methyl-3-(methylamino)non-7-enoic acid
CID 155352131
(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol
CID 89149802
(2R,3R)-2-(dimethylamino)-3-hydroxybutanoic acid
CID 131877082

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid?
The IUPAC name of 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid (CID 3371803) is 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid?
The canonical SMILES for 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid is CC=CCC(C)C(O)C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid?
The InChIKey is COYQGLCTWTYPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-7-8(2)10(13)9(11(14)15)12(3)4/h5-6,8-10,13H,7H2,1-4H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid?
2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-hydroxy-4-methyloct-6-enoic acid is sourced from PubChem (CID 3371803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).