2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid

C14H22N2O4 — CID 61478894

IUPAC2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NC(C)c1ccc(C)o1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-5-6-11(13(17)18)16-14(19)15-10(3)12-8-7-9(2)20-12/h7-8,10-11H,4-6H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyUJPUHAMPBAFGDV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.59
Rot. Bonds7

About 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid

2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid (PubChem CID 61478894) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid
PubChem CID61478894
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NC(C)c1ccc(C)o1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-5-6-11(13(17)18)16-14(19)15-10(3)12-8-7-9(2)20-12/h7-8,10-11H,4-6H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyUJPUHAMPBAFGDV-UHFFFAOYSA-N
XLogP2.59
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic 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

(2S)-4-hydroxy-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 107826832
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 61478645
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
CID 104686399
(2S)-2-[1-(4-methylphenyl)ethylcarbamoylamino]hexanoic acid
CID 107145758
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
(2S)-2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]hexanoic acid
CID 107145690
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566688
(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
2-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 54954839
(2S)-2-(4-methylpentan-2-ylcarbamoylamino)hexanoic acid
CID 107145488

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid (CID 61478894) is 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid is CCCCC(NC(=O)NC(C)c1ccc(C)o1)C(=O)O.
What is the InChIKey of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid?
The InChIKey is UJPUHAMPBAFGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-5-6-11(13(17)18)16-14(19)15-10(3)12-8-7-9(2)20-12/h7-8,10-11H,4-6H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid?
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 61478894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).