4-acetamido-3-methylbenzoic acid

C10H11NO3 — CID 3015948

IUPAC4-acetamido-3-methylbenzoic acid
SMILESCC(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C10H11NO3/c1-6-5-8(10(13)14)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyWCQSEJSRAJSUSS-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.65
Rot. Bonds2

About 4-acetamido-3-methylbenzoic acid

4-acetamido-3-methylbenzoic acid (PubChem CID 3015948) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-acetamido-3-methylbenzoic acid.

Molecular Properties

Compound Name4-acetamido-3-methylbenzoic acid
PubChem CID3015948
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-acetamido-3-methylbenzoic acid
SMILESCC(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C10H11NO3/c1-6-5-8(10(13)14)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyWCQSEJSRAJSUSS-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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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-methylbenzoic acid?
The IUPAC name of 4-acetamido-3-methylbenzoic acid (CID 3015948) is 4-acetamido-3-methylbenzoic acid.
What is the SMILES notation for 4-acetamido-3-methylbenzoic acid?
The canonical SMILES for 4-acetamido-3-methylbenzoic acid is CC(=O)Nc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-acetamido-3-methylbenzoic acid?
The InChIKey is WCQSEJSRAJSUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-5-8(10(13)14)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4-acetamido-3-methylbenzoic acid?
4-acetamido-3-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 4-acetamido-3-methylbenzoic acid is sourced from PubChem (CID 3015948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).