5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid

C13H20N2O4 — CID 79090150

IUPAC5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid
SMILESCCNC(=O)CN(CC)C(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H20N2O4/c1-4-14-12(16)8-15(5-2)9(3)10-6-7-11(19-10)13(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFJPUQSGKNPFIQF-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.50
Rot. Bonds7

About 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid

5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid (PubChem CID 79090150) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid
PubChem CID79090150
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid
SMILESCCNC(=O)CN(CC)C(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H20N2O4/c1-4-14-12(16)8-15(5-2)9(3)10-6-7-11(19-10)13(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFJPUQSGKNPFIQF-UHFFFAOYSA-N
XLogP1.50
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[butyl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 20992998
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090734
5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
CID 22686704
5-[1-[butan-2-yl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 79083835
methyl 5-[1-[(2-amino-2-oxoethyl)-ethylamino]ethyl]furan-2-carboxylate
CID 103102938
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 106330201
N-ethyl-2-[ethyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8683321
5-[1-[methyl(oxan-4-yl)amino]ethyl]furan-2-carboxylic acid
CID 79084182
methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79090923

Frequently Asked Questions

What is the IUPAC name of 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid (CID 79090150) is 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid is CCNC(=O)CN(CC)C(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid?
The InChIKey is FJPUQSGKNPFIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-14-12(16)8-15(5-2)9(3)10-6-7-11(19-10)13(17)18/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid?
5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79090150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).