5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid

C13H21NO3 — CID 106330201

IUPAC5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
SMILESCCC(C)(CC)NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H21NO3/c1-5-13(4,6-2)14-9(3)10-7-8-11(17-10)12(15)16/h7-9,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyBZFTUZBIDAHVNH-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.21
Rot. Bonds6

About 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid

5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid (PubChem CID 106330201) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
PubChem CID106330201
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
SMILESCCC(C)(CC)NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H21NO3/c1-5-13(4,6-2)14-9(3)10-7-8-11(17-10)12(15)16/h7-9,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyBZFTUZBIDAHVNH-UHFFFAOYSA-N
XLogP3.21
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]ethyl]furan-2-carboxylic acid
CID 107866396
5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
CID 103267053
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167
5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]furan-2-carboxylic acid
CID 76785911
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid
CID 103261589
5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid
CID 114133440
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-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid
CID 103249989

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid (CID 106330201) is 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid is CCC(C)(CC)NC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid?
The InChIKey is BZFTUZBIDAHVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-13(4,6-2)14-9(3)10-7-8-11(17-10)12(15)16/h7-9,14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid?
5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 106330201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).