4-(dimethylamino)-4-methylpentanoic acid

C8H17NO2 — CID 79695166

IUPAC4-(dimethylamino)-4-methylpentanoic acid
SMILESCN(C)C(C)(C)CCC(=O)O
InChIInChI=1S/C8H17NO2/c1-8(2,9(3)4)6-5-7(10)11/h5-6H2,1-4H3,(H,10,11)
InChIKeyWHOXQLBULQCFMG-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds4

About 4-(dimethylamino)-4-methylpentanoic acid

4-(dimethylamino)-4-methylpentanoic acid (PubChem CID 79695166) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(dimethylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-4-methylpentanoic acid
PubChem CID79695166
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(dimethylamino)-4-methylpentanoic acid
SMILESCN(C)C(C)(C)CCC(=O)O
InChIInChI=1S/C8H17NO2/c1-8(2,9(3)4)6-5-7(10)11/h5-6H2,1-4H3,(H,10,11)
InChIKeyWHOXQLBULQCFMG-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(dimethylamino)-4-methylpentanoic acid (CID 79695166) is 4-(dimethylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(dimethylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(dimethylamino)-4-methylpentanoic acid is CN(C)C(C)(C)CCC(=O)O.
What is the InChIKey of 4-(dimethylamino)-4-methylpentanoic acid?
The InChIKey is WHOXQLBULQCFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,9(3)4)6-5-7(10)11/h5-6H2,1-4H3,(H,10,11).
What are the key properties of 4-(dimethylamino)-4-methylpentanoic acid?
4-(dimethylamino)-4-methylpentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-methylpentanoic acid is sourced from PubChem (CID 79695166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).