4-(dimethylamino)-2,2-dimethylpentanoic acid

C9H19NO2 — CID 57165325

IUPAC4-(dimethylamino)-2,2-dimethylpentanoic acid
SMILESCC(CC(C)(C)C(=O)O)N(C)C
InChIInChI=1S/C9H19NO2/c1-7(10(4)5)6-9(2,3)8(11)12/h7H,6H2,1-5H3,(H,11,12)
InChIKeyDWGZIQJDSDYAKB-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds4

About 4-(dimethylamino)-2,2-dimethylpentanoic acid

4-(dimethylamino)-2,2-dimethylpentanoic acid (PubChem CID 57165325) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(dimethylamino)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2,2-dimethylpentanoic acid
PubChem CID57165325
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(dimethylamino)-2,2-dimethylpentanoic acid
SMILESCC(CC(C)(C)C(=O)O)N(C)C
InChIInChI=1S/C9H19NO2/c1-7(10(4)5)6-9(2,3)8(11)12/h7H,6H2,1-5H3,(H,11,12)
InChIKeyDWGZIQJDSDYAKB-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,2-dimethylpentanoic acid?
The IUPAC name of 4-(dimethylamino)-2,2-dimethylpentanoic acid (CID 57165325) is 4-(dimethylamino)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2,2-dimethylpentanoic acid?
The canonical SMILES for 4-(dimethylamino)-2,2-dimethylpentanoic acid is CC(CC(C)(C)C(=O)O)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2,2-dimethylpentanoic acid?
The InChIKey is DWGZIQJDSDYAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(10(4)5)6-9(2,3)8(11)12/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of 4-(dimethylamino)-2,2-dimethylpentanoic acid?
4-(dimethylamino)-2,2-dimethylpentanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 57165325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).