5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid

C11H16N2O4 — CID 103245946

IUPAC5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
SMILESCNC(=O)CCNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H16N2O4/c1-7(13-6-5-10(14)12-2)8-3-4-9(17-8)11(15)16/h3-4,7,13H,5-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyIOUNIPLGBZHPQO-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.76
Rot. Bonds6

About 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid

5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid (PubChem CID 103245946) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
PubChem CID103245946
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
SMILESCNC(=O)CCNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H16N2O4/c1-7(13-6-5-10(14)12-2)8-3-4-9(17-8)11(15)16/h3-4,7,13H,5-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyIOUNIPLGBZHPQO-UHFFFAOYSA-N
XLogP0.76
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid
CID 103231980
5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
CID 103267053
methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103263193
5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid
CID 114133440
methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
CID 103246824
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253263
5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid
CID 103254915
5-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253710
5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]furan-2-carboxylic acid
CID 103251539

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid (CID 103245946) is 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid is CNC(=O)CCNC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid?
The InChIKey is IOUNIPLGBZHPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(13-6-5-10(14)12-2)8-3-4-9(17-8)11(15)16/h3-4,7,13H,5-6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid?
5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103245946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).