4-[methoxy(methyl)carbamoyl]benzoic acid

C10H11NO4 — CID 102492872

IUPAC4-[methoxy(methyl)carbamoyl]benzoic acid
SMILESCON(C)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c1-11(15-2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyPJBLYMWHNMCKPH-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.02
Rot. Bonds3

About 4-[methoxy(methyl)carbamoyl]benzoic acid

4-[methoxy(methyl)carbamoyl]benzoic acid (PubChem CID 102492872) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-[methoxy(methyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[methoxy(methyl)carbamoyl]benzoic acid
PubChem CID102492872
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-[methoxy(methyl)carbamoyl]benzoic acid
SMILESCON(C)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4/c1-11(15-2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyPJBLYMWHNMCKPH-UHFFFAOYSA-N
XLogP1.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[methoxy(methyl)carbamoyl]benzoic acid (CID 102492872) is 4-[methoxy(methyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[methoxy(methyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[methoxy(methyl)carbamoyl]benzoic acid is CON(C)C(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methoxy(methyl)carbamoyl]benzoic acid?
The InChIKey is PJBLYMWHNMCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-11(15-2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-[methoxy(methyl)carbamoyl]benzoic acid?
4-[methoxy(methyl)carbamoyl]benzoic acid has a molecular weight of 209.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)carbamoyl]benzoic acid is sourced from PubChem (CID 102492872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).