3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid

C11H13NO4 — CID 16769869

IUPAC3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
SMILESCN(C)C(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-5-3-4-8(6-9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyAKJPSGWLPLHZAS-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.85
Rot. Bonds4

About 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid

3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid (PubChem CID 16769869) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
PubChem CID16769869
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
SMILESCN(C)C(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-5-3-4-8(6-9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyAKJPSGWLPLHZAS-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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Related Compounds

3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
2-[3-[3-(4-tert-butylphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 75918815
3-[(Z)-3-chloro-2-methylprop-2-enoxy]benzoic acid
CID 106436639
N,N-dimethyl-2-[3-[3-(4-methylphenyl)prop-2-enoyl]phenoxy]acetamide
CID 78905765
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894
3-[2-[[3-[[2-(3-carboxyphenoxy)acetyl]amino]-2-(dimethylamino)propyl]amino]-2-oxoethoxy]benzoic acid
CID 69068651
3-[2-[[2-[[[2-(3-carboxyphenoxy)acetyl]amino]methyl]-3-(dimethylamino)propyl]amino]-2-oxoethoxy]benzoic acid
CID 69072835
3-[2-(dimethylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60698832
N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
CID 55773243
N-(2-benzylphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55771324
2-[3-[3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 78905786
(3-fluorophenyl)methyl 3-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 87019980

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid (CID 16769869) is 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid is CN(C)C(=O)COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is AKJPSGWLPLHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-5-3-4-8(6-9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid?
3-[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 3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 16769869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).