5-[butyl(ethyl)amino]furan-2-carboxylic acid

C11H17NO3 — CID 62205838

IUPAC5-[butyl(ethyl)amino]furan-2-carboxylic acid
SMILESCCCCN(CC)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO3/c1-3-5-8-12(4-2)10-7-6-9(15-10)11(13)14/h6-7H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyOGSQVKDMFRRUGV-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.60
Rot. Bonds6

About 5-[butyl(ethyl)amino]furan-2-carboxylic acid

5-[butyl(ethyl)amino]furan-2-carboxylic acid (PubChem CID 62205838) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-[butyl(ethyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[butyl(ethyl)amino]furan-2-carboxylic acid
PubChem CID62205838
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-[butyl(ethyl)amino]furan-2-carboxylic acid
SMILESCCCCN(CC)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO3/c1-3-5-8-12(4-2)10-7-6-9(15-10)11(13)14/h6-7H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyOGSQVKDMFRRUGV-UHFFFAOYSA-N
XLogP2.60
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[butyl(ethyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[butyl(ethyl)amino]furan-2-carboxylic acid (CID 62205838) is 5-[butyl(ethyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[butyl(ethyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[butyl(ethyl)amino]furan-2-carboxylic acid is CCCCN(CC)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[butyl(ethyl)amino]furan-2-carboxylic acid?
The InChIKey is OGSQVKDMFRRUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-5-8-12(4-2)10-7-6-9(15-10)11(13)14/h6-7H,3-5,8H2,1-2H3,(H,13,14).
What are the key properties of 5-[butyl(ethyl)amino]furan-2-carboxylic acid?
5-[butyl(ethyl)amino]furan-2-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(ethyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 62205838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).