5-acetamido-2,3-dimethylbenzoic acid

C11H13NO3 — CID 63020849

IUPAC5-acetamido-2,3-dimethylbenzoic acid
SMILESCC(=O)Nc1cc(C)c(C)c(C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-6-4-9(12-8(3)13)5-10(7(6)2)11(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyUERLKUKMAXMBNH-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.96
Rot. Bonds2

About 5-acetamido-2,3-dimethylbenzoic acid

5-acetamido-2,3-dimethylbenzoic acid (PubChem CID 63020849) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-acetamido-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-acetamido-2,3-dimethylbenzoic acid
PubChem CID63020849
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-acetamido-2,3-dimethylbenzoic acid
SMILESCC(=O)Nc1cc(C)c(C)c(C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-6-4-9(12-8(3)13)5-10(7(6)2)11(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyUERLKUKMAXMBNH-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-5-(propan-2-ylcarbamoylamino)benzoic acid
CID 63021042
5-(but-2-enoylamino)-2,3-dimethylbenzoic acid
CID 76982183
2,3-dimethyl-5-(2-methylbutanoylamino)benzoic acid
CID 63020676
2,3-dimethyl-5-[3-(methylamino)propanoylamino]benzoic acid
CID 63021225
2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
CID 63021015
2,3-dimethyl-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 63021039
5-[(3-amino-3-methylbutanoyl)amino]-2,3-dimethylbenzoic acid
CID 64676851
5-(4-aminobutanoylamino)-2,3-dimethylbenzoic acid
CID 63020000
2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63022107
5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2,3-dimethylbenzoic acid
CID 104829296
5-[(2-amino-2-methylbutanoyl)amino]-2,3-dimethylbenzoic acid
CID 79810891
2,3-dimethyl-5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 63023671

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2,3-dimethylbenzoic acid?
The IUPAC name of 5-acetamido-2,3-dimethylbenzoic acid (CID 63020849) is 5-acetamido-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-acetamido-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-acetamido-2,3-dimethylbenzoic acid is CC(=O)Nc1cc(C)c(C)c(C(=O)O)c1.
What is the InChIKey of 5-acetamido-2,3-dimethylbenzoic acid?
The InChIKey is UERLKUKMAXMBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6-4-9(12-8(3)13)5-10(7(6)2)11(14)15/h4-5H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 5-acetamido-2,3-dimethylbenzoic acid?
5-acetamido-2,3-dimethylbenzoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2,3-dimethylbenzoic acid is sourced from PubChem (CID 63020849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).