2-[2-(benzylamino)-2-oxoethoxy]benzoic acid

C16H15NO4 — CID 2380872

IUPAC2-[2-(benzylamino)-2-oxoethoxy]benzoic acid
SMILESO=C(COc1ccccc1C(=O)O)NCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(17-10-12-6-2-1-3-7-12)11-21-14-9-5-4-8-13(14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyWSEYZTNKOAHUSP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.08
Rot. Bonds6

About 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid

2-[2-(benzylamino)-2-oxoethoxy]benzoic acid (PubChem CID 2380872) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(benzylamino)-2-oxoethoxy]benzoic acid
PubChem CID2380872
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[2-(benzylamino)-2-oxoethoxy]benzoic acid
SMILESO=C(COc1ccccc1C(=O)O)NCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(17-10-12-6-2-1-3-7-12)11-21-14-9-5-4-8-13(14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyWSEYZTNKOAHUSP-UHFFFAOYSA-N
XLogP2.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid (CID 2380872) is 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid is O=C(COc1ccccc1C(=O)O)NCc1ccccc1.
What is the InChIKey of 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is WSEYZTNKOAHUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(17-10-12-6-2-1-3-7-12)11-21-14-9-5-4-8-13(14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid?
2-[2-(benzylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 2380872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).