2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid

C11H13NO4 — CID 4962590

IUPAC2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
SMILESCN(C)C(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-6-4-3-5-8(9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeySRYMWAUZDOJACZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.85
Rot. Bonds4

About 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid

2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid (PubChem CID 4962590) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
PubChem CID4962590
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
SMILESCN(C)C(=O)COc1ccccc1C(=O)O
InChIInChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-6-4-3-5-8(9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeySRYMWAUZDOJACZ-UHFFFAOYSA-N
XLogP0.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid (CID 4962590) is 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid is CN(C)C(=O)COc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is SRYMWAUZDOJACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-6-4-3-5-8(9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid?
2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 4962590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).