5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid

C15H25NO3 — CID 22686704

IUPAC5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
SMILESCCCCN(CCCC)C(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H25NO3/c1-4-6-10-16(11-7-5-2)12(3)13-8-9-14(19-13)15(17)18/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyOCYFXRKZRINPSF-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.94
Rot. Bonds9

About 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid

5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid (PubChem CID 22686704) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
PubChem CID22686704
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
SMILESCCCCN(CCCC)C(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H25NO3/c1-4-6-10-16(11-7-5-2)12(3)13-8-9-14(19-13)15(17)18/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyOCYFXRKZRINPSF-UHFFFAOYSA-N
XLogP3.94
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[butyl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 20992998
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090734
5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
5-[butyl(ethyl)amino]furan-2-carboxylic acid
CID 62205838
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
5-[1-[butan-2-yl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 79083835
5-[1-(3-aminopropylsulfanyl)ethyl]furan-2-carboxylic acid
CID 79083738
5-(1-hydroxyheptyl)furan-2-carboxylic acid
CID 12718415
methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate
CID 112726846
5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid
CID 79090150
5-[1-(2-ethoxy-2-oxoethyl)sulfanylethyl]furan-2-carboxylic acid
CID 79084512

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid (CID 22686704) is 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid is CCCCN(CCCC)C(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid?
The InChIKey is OCYFXRKZRINPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-6-10-16(11-7-5-2)12(3)13-8-9-14(19-13)15(17)18/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18).
What are the key properties of 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid?
5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 22686704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).