2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid

C16H13NO5 — CID 6623903

IUPAC2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C16H13NO5/c18-15(8-21-9-16(19)20)17-10-5-6-12-11-3-1-2-4-13(11)22-14(12)7-10/h1-7H,8-9H2,(H,17,18)(H,19,20)
InChIKeyLJCOINGVJDJAMN-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.63
Rot. Bonds5

About 2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid

2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid (PubChem CID 6623903) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid
PubChem CID6623903
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C16H13NO5/c18-15(8-21-9-16(19)20)17-10-5-6-12-11-3-1-2-4-13(11)22-14(12)7-10/h1-7H,8-9H2,(H,17,18)(H,19,20)
InChIKeyLJCOINGVJDJAMN-UHFFFAOYSA-N
XLogP2.63
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
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-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid (CID 6623903) is 2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid?
The InChIKey is LJCOINGVJDJAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c18-15(8-21-9-16(19)20)17-10-5-6-12-11-3-1-2-4-13(11)22-14(12)7-10/h1-7H,8-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid?
2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid has a molecular weight of 299.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dibenzofuran-3-ylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 6623903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).