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

C14H22N2O4 — CID 79803748

IUPAC2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)c1ccc(C)o1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-5-14(6-2,12(17)18)16-13(19)15-10(4)11-8-7-9(3)20-11/h7-8,10H,5-6H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyCVLBODKHWKJUSQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.59
Rot. Bonds6

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

2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 79803748) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
PubChem CID79803748
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)c1ccc(C)o1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-5-14(6-2,12(17)18)16-13(19)15-10(4)11-8-7-9(3)20-11/h7-8,10H,5-6H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyCVLBODKHWKJUSQ-UHFFFAOYSA-N
XLogP2.59
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
2-ethyl-2-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 79815013
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid
CID 61478894
(2S)-4-hydroxy-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 107826832
2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 113270559
2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 62491445
1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 61478923
2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 62821673
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
CID 104686399

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid (CID 79803748) is 2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid is CCC(CC)(NC(=O)NC(C)c1ccc(C)o1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is CVLBODKHWKJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-14(6-2,12(17)18)16-13(19)15-10(4)11-8-7-9(3)20-11/h7-8,10H,5-6H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid?
2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 79803748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).