5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid

C17H15NO4 — CID 3122290

IUPAC5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C17H15NO4/c19-16(6-3-7-17(20)21)18-11-8-9-13-12-4-1-2-5-14(12)22-15(13)10-11/h1-2,4-5,8-10H,3,6-7H2,(H,18,19)(H,20,21)
InChIKeyOSEYXZGLXVPXBG-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.78
Rot. Bonds5

About 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid

5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid (PubChem CID 3122290) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid
PubChem CID3122290
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C17H15NO4/c19-16(6-3-7-17(20)21)18-11-8-9-13-12-4-1-2-5-14(12)22-15(13)10-11/h1-2,4-5,8-10H,3,6-7H2,(H,18,19)(H,20,21)
InChIKeyOSEYXZGLXVPXBG-UHFFFAOYSA-N
XLogP3.78
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid (CID 3122290) is 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid?
The InChIKey is OSEYXZGLXVPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-16(6-3-7-17(20)21)18-11-8-9-13-12-4-1-2-5-14(12)22-15(13)10-11/h1-2,4-5,8-10H,3,6-7H2,(H,18,19)(H,20,21).
What are the key properties of 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid?
5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid has a molecular weight of 297.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibenzofuran-3-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 3122290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).