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

C13H21NO3 — CID 103267053

IUPAC5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
SMILESCCC(CC)CNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H21NO3/c1-4-10(5-2)8-14-9(3)11-6-7-12(17-11)13(15)16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyRMJLTDTXJYAISU-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.06
Rot. Bonds7

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

5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid (PubChem CID 103267053) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
PubChem CID103267053
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
SMILESCCC(CC)CNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H21NO3/c1-4-10(5-2)8-14-9(3)11-6-7-12(17-11)13(15)16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyRMJLTDTXJYAISU-UHFFFAOYSA-N
XLogP3.06
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid
CID 103254915
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
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167
5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253263
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
CID 103245946
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 106330201
5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid
CID 103231980
5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid
CID 114133440
5-[1-[(3,4-difluorophenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103244448

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid (CID 103267053) is 5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid is CCC(CC)CNC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid?
The InChIKey is RMJLTDTXJYAISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-10(5-2)8-14-9(3)11-6-7-12(17-11)13(15)16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid?
5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103267053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).