5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid

C11H16N2O4 — CID 55050135

IUPAC5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid
SMILESCCN(CC(=O)N(C)C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H16N2O4/c1-4-13(7-9(14)12(2)3)10-6-5-8(17-10)11(15)16/h5-6H,4,7H2,1-3H3,(H,15,16)
InChIKeyZWRIGYVRGMWTKF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.89
Rot. Bonds5

About 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid

5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid (PubChem CID 55050135) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid
PubChem CID55050135
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid
SMILESCCN(CC(=O)N(C)C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H16N2O4/c1-4-13(7-9(14)12(2)3)10-6-5-8(17-10)11(15)16/h5-6H,4,7H2,1-3H3,(H,15,16)
InChIKeyZWRIGYVRGMWTKF-UHFFFAOYSA-N
XLogP0.89
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid (CID 55050135) is 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid is CCN(CC(=O)N(C)C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid?
The InChIKey is ZWRIGYVRGMWTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-13(7-9(14)12(2)3)10-6-5-8(17-10)11(15)16/h5-6H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid?
5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid is sourced from PubChem (CID 55050135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).