2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid

C18H15NO5 — CID 3237281

IUPAC2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid
SMILESO=C1CC(C(=O)Nc2ccccc2C(=O)O)C(c2ccccc2)O1
InChIInChI=1S/C18H15NO5/c20-15-10-13(16(24-15)11-6-2-1-3-7-11)17(21)19-14-9-5-4-8-12(14)18(22)23/h1-9,13,16H,10H2,(H,19,21)(H,22,23)
InChIKeyBBUOYBXUQWXEAU-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.63
Rot. Bonds4

About 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid

2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid (PubChem CID 3237281) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid
PubChem CID3237281
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid
SMILESO=C1CC(C(=O)Nc2ccccc2C(=O)O)C(c2ccccc2)O1
InChIInChI=1S/C18H15NO5/c20-15-10-13(16(24-15)11-6-2-1-3-7-11)17(21)19-14-9-5-4-8-12(14)18(22)23/h1-9,13,16H,10H2,(H,19,21)(H,22,23)
InChIKeyBBUOYBXUQWXEAU-UHFFFAOYSA-N
XLogP2.63
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid (CID 3237281) is 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid is O=C1CC(C(=O)Nc2ccccc2C(=O)O)C(c2ccccc2)O1.
What is the InChIKey of 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid?
The InChIKey is BBUOYBXUQWXEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c20-15-10-13(16(24-15)11-6-2-1-3-7-11)17(21)19-14-9-5-4-8-12(14)18(22)23/h1-9,13,16H,10H2,(H,19,21)(H,22,23).
What are the key properties of 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid?
2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid has a molecular weight of 325.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 3237281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).