2-(methoxymethylcarbamoyl)benzoic acid

C10H11NO4 — CID 139596581

IUPAC2-(methoxymethylcarbamoyl)benzoic acid
SMILESCOCNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-15-6-11-9(12)7-4-2-3-5-8(7)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyPHKMVOGNTJJZHK-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.72
Rot. Bonds4

About 2-(methoxymethylcarbamoyl)benzoic acid

2-(methoxymethylcarbamoyl)benzoic acid (PubChem CID 139596581) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(methoxymethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(methoxymethylcarbamoyl)benzoic acid
PubChem CID139596581
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(methoxymethylcarbamoyl)benzoic acid
SMILESCOCNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H11NO4/c1-15-6-11-9(12)7-4-2-3-5-8(7)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyPHKMVOGNTJJZHK-UHFFFAOYSA-N
XLogP0.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylcarbamoyl)benzoic acid?
The IUPAC name of 2-(methoxymethylcarbamoyl)benzoic acid (CID 139596581) is 2-(methoxymethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(methoxymethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(methoxymethylcarbamoyl)benzoic acid is COCNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(methoxymethylcarbamoyl)benzoic acid?
The InChIKey is PHKMVOGNTJJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-6-11-9(12)7-4-2-3-5-8(7)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(methoxymethylcarbamoyl)benzoic acid?
2-(methoxymethylcarbamoyl)benzoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylcarbamoyl)benzoic acid is sourced from PubChem (CID 139596581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).