5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid

C11H15NO5 — CID 103239577

IUPAC5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCCOC(=O)CNCc1cc(C)c(C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-3-16-9(13)6-12-5-8-4-7(2)10(17-8)11(14)15/h4,12H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyLDKLCPBJQMSJEN-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.94
Rot. Bonds6

About 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid

5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 103239577) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid
PubChem CID103239577
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCCOC(=O)CNCc1cc(C)c(C(=O)O)o1
InChIInChI=1S/C11H15NO5/c1-3-16-9(13)6-12-5-8-4-7(2)10(17-8)11(14)15/h4,12H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyLDKLCPBJQMSJEN-UHFFFAOYSA-N
XLogP0.94
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-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-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
3-methyl-5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 103262594
5-[(2,2-dimethylbutylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103462758
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
5-[[2-(diethylamino)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103234085
5-[(4-methoxybutylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103244324
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 106149092
5-[[2-[ethyl(propyl)amino]ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 114133673
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
5-[[2-(4-methoxyphenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103232742
5-[[(3-methoxyphenyl)methylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103239896
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid (CID 103239577) is 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid is CCOC(=O)CNCc1cc(C)c(C(=O)O)o1.
What is the InChIKey of 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is LDKLCPBJQMSJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-16-9(13)6-12-5-8-4-7(2)10(17-8)11(14)15/h4,12H,3,5-6H2,1-2H3,(H,14,15).
What are the key properties of 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid?
5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103239577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).