2-[acetyl(methyl)amino]benzoic acid

C10H11NO3 — CID 793024

IUPAC2-[acetyl(methyl)amino]benzoic acid
SMILESCC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyVCOQVAJFXPHUAM-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.37
Rot. Bonds2

About 2-[acetyl(methyl)amino]benzoic acid

2-[acetyl(methyl)amino]benzoic acid (PubChem CID 793024) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]benzoic acid
PubChem CID793024
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-[acetyl(methyl)amino]benzoic acid
SMILESCC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyVCOQVAJFXPHUAM-UHFFFAOYSA-N
XLogP1.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]benzoic acid?
The IUPAC name of 2-[acetyl(methyl)amino]benzoic acid (CID 793024) is 2-[acetyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]benzoic acid is CC(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[acetyl(methyl)amino]benzoic acid?
The InChIKey is VCOQVAJFXPHUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-[acetyl(methyl)amino]benzoic acid?
2-[acetyl(methyl)amino]benzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]benzoic acid is sourced from PubChem (CID 793024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).