4-(methylcarbamoyl)benzoic acid

C9H9NO3 — CID 506058

IUPAC4-(methylcarbamoyl)benzoic acid
SMILESCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H9NO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKeyZYTCRZMJZJPYEG-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.74
Rot. Bonds2

About 4-(methylcarbamoyl)benzoic acid

4-(methylcarbamoyl)benzoic acid (PubChem CID 506058) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-(methylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name4-(methylcarbamoyl)benzoic acid
PubChem CID506058
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name4-(methylcarbamoyl)benzoic acid
SMILESCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H9NO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKeyZYTCRZMJZJPYEG-UHFFFAOYSA-N
XLogP0.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methylcarbamoyl)benzoic acid?
The IUPAC name of 4-(methylcarbamoyl)benzoic acid (CID 506058) is 4-(methylcarbamoyl)benzoic acid.
What is the SMILES notation for 4-(methylcarbamoyl)benzoic acid?
The canonical SMILES for 4-(methylcarbamoyl)benzoic acid is CNC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(methylcarbamoyl)benzoic acid?
The InChIKey is ZYTCRZMJZJPYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-(methylcarbamoyl)benzoic acid?
4-(methylcarbamoyl)benzoic acid has a molecular weight of 179.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylcarbamoyl)benzoic acid is sourced from PubChem (CID 506058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).