2-[3-(dimethylamino)-2-methylphenyl]acetic acid

C11H15NO2 — CID 155670062

IUPAC2-[3-(dimethylamino)-2-methylphenyl]acetic acid
SMILESCc1c(CC(=O)O)cccc1N(C)C
InChIInChI=1S/C11H15NO2/c1-8-9(7-11(13)14)5-4-6-10(8)12(2)3/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyYWLSIYZBWLLQLJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.69
Rot. Bonds3

About 2-[3-(dimethylamino)-2-methylphenyl]acetic acid

2-[3-(dimethylamino)-2-methylphenyl]acetic acid (PubChem CID 155670062) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-2-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)-2-methylphenyl]acetic acid
PubChem CID155670062
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[3-(dimethylamino)-2-methylphenyl]acetic acid
SMILESCc1c(CC(=O)O)cccc1N(C)C
InChIInChI=1S/C11H15NO2/c1-8-9(7-11(13)14)5-4-6-10(8)12(2)3/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyYWLSIYZBWLLQLJ-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-2-methylphenyl]acetic acid?
The IUPAC name of 2-[3-(dimethylamino)-2-methylphenyl]acetic acid (CID 155670062) is 2-[3-(dimethylamino)-2-methylphenyl]acetic acid.
What is the SMILES notation for 2-[3-(dimethylamino)-2-methylphenyl]acetic acid?
The canonical SMILES for 2-[3-(dimethylamino)-2-methylphenyl]acetic acid is Cc1c(CC(=O)O)cccc1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-2-methylphenyl]acetic acid?
The InChIKey is YWLSIYZBWLLQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-9(7-11(13)14)5-4-6-10(8)12(2)3/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-[3-(dimethylamino)-2-methylphenyl]acetic acid?
2-[3-(dimethylamino)-2-methylphenyl]acetic acid has a molecular weight of 193.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-2-methylphenyl]acetic acid is sourced from PubChem (CID 155670062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).