4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid

C16H13NO4 — CID 2839116

IUPAC4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C16H13NO4/c18-15(7-8-16(19)20)17-10-5-6-12-11-3-1-2-4-13(11)21-14(12)9-10/h1-6,9H,7-8H2,(H,17,18)(H,19,20)
InChIKeyJHRGJUDRQJKHAB-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.39
Rot. Bonds4

About 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid

4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid (PubChem CID 2839116) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid
PubChem CID2839116
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C16H13NO4/c18-15(7-8-16(19)20)17-10-5-6-12-11-3-1-2-4-13(11)21-14(12)9-10/h1-6,9H,7-8H2,(H,17,18)(H,19,20)
InChIKeyJHRGJUDRQJKHAB-UHFFFAOYSA-N
XLogP3.39
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid (CID 2839116) is 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid?
The InChIKey is JHRGJUDRQJKHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-15(7-8-16(19)20)17-10-5-6-12-11-3-1-2-4-13(11)21-14(12)9-10/h1-6,9H,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid?
4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid has a molecular weight of 283.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzofuran-3-ylamino)-4-oxobutanoic acid is sourced from PubChem (CID 2839116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).