2-acetamido-6-methylbenzoic acid

C10H11NO3 — CID 2801400

IUPAC2-acetamido-6-methylbenzoic acid
SMILESCC(=O)Nc1cccc(C)c1C(=O)O
InChIInChI=1S/C10H11NO3/c1-6-4-3-5-8(11-7(2)12)9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyLJXNEDFNBYPGNQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.65
Rot. Bonds2

About 2-acetamido-6-methylbenzoic acid

2-acetamido-6-methylbenzoic acid (PubChem CID 2801400) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-acetamido-6-methylbenzoic acid.

Molecular Properties

Compound Name2-acetamido-6-methylbenzoic acid
PubChem CID2801400
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-acetamido-6-methylbenzoic acid
SMILESCC(=O)Nc1cccc(C)c1C(=O)O
InChIInChI=1S/C10H11NO3/c1-6-4-3-5-8(11-7(2)12)9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyLJXNEDFNBYPGNQ-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-6-methylbenzoic acid
CID 13478134
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
2-(cyclopent-3-ene-1-carbonylamino)-6-methylbenzoic acid
CID 64766478
2-[(3-amino-3-methylbutanoyl)amino]-6-methylbenzoic acid
CID 64676890
2-methyl-6-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517637
2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921528
2-(3-ethylpentan-3-ylcarbamoylamino)-6-methylbenzoic acid
CID 65042747
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
2-[(3,5-dibromobenzoyl)amino]-6-methylbenzoic acid
CID 107971461
2-methyl-6-(sulfamoylamino)benzoic acid
CID 114958898

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-methylbenzoic acid?
The IUPAC name of 2-acetamido-6-methylbenzoic acid (CID 2801400) is 2-acetamido-6-methylbenzoic acid.
What is the SMILES notation for 2-acetamido-6-methylbenzoic acid?
The canonical SMILES for 2-acetamido-6-methylbenzoic acid is CC(=O)Nc1cccc(C)c1C(=O)O.
What is the InChIKey of 2-acetamido-6-methylbenzoic acid?
The InChIKey is LJXNEDFNBYPGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-4-3-5-8(11-7(2)12)9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-acetamido-6-methylbenzoic acid?
2-acetamido-6-methylbenzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-methylbenzoic acid is sourced from PubChem (CID 2801400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).