3-methyl-5-(methylcarbamoyl)benzoic acid

C10H11NO3 — CID 147633553

IUPAC3-methyl-5-(methylcarbamoyl)benzoic acid
SMILESCNC(=O)c1cc(C)cc(C(=O)O)c1
InChIInChI=1S/C10H11NO3/c1-6-3-7(9(12)11-2)5-8(4-6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyGGENGVOKTWMJGI-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.05
Rot. Bonds2

About 3-methyl-5-(methylcarbamoyl)benzoic acid

3-methyl-5-(methylcarbamoyl)benzoic acid (PubChem CID 147633553) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-methyl-5-(methylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name3-methyl-5-(methylcarbamoyl)benzoic acid
PubChem CID147633553
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-methyl-5-(methylcarbamoyl)benzoic acid
SMILESCNC(=O)c1cc(C)cc(C(=O)O)c1
InChIInChI=1S/C10H11NO3/c1-6-3-7(9(12)11-2)5-8(4-6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyGGENGVOKTWMJGI-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylcarbamoyl)benzoic acid?
The IUPAC name of 3-methyl-5-(methylcarbamoyl)benzoic acid (CID 147633553) is 3-methyl-5-(methylcarbamoyl)benzoic acid.
What is the SMILES notation for 3-methyl-5-(methylcarbamoyl)benzoic acid?
The canonical SMILES for 3-methyl-5-(methylcarbamoyl)benzoic acid is CNC(=O)c1cc(C)cc(C(=O)O)c1.
What is the InChIKey of 3-methyl-5-(methylcarbamoyl)benzoic acid?
The InChIKey is GGENGVOKTWMJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-3-7(9(12)11-2)5-8(4-6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-5-(methylcarbamoyl)benzoic acid?
3-methyl-5-(methylcarbamoyl)benzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylcarbamoyl)benzoic acid is sourced from PubChem (CID 147633553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).