5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid

C11H17NO3 — CID 62267286

IUPAC5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
SMILESCCN(Cc1cc(C(=O)O)co1)C(C)C
InChIInChI=1S/C11H17NO3/c1-4-12(8(2)3)6-10-5-9(7-15-10)11(13)14/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChIKeyWHJATUVBIGJWBJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.21
Rot. Bonds5

About 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid

5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid (PubChem CID 62267286) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
PubChem CID62267286
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
SMILESCCN(Cc1cc(C(=O)O)co1)C(C)C
InChIInChI=1S/C11H17NO3/c1-4-12(8(2)3)6-10-5-9(7-15-10)11(13)14/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChIKeyWHJATUVBIGJWBJ-UHFFFAOYSA-N
XLogP2.21
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-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-[[methyl(pentan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 62268700
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide
CID 103192024
5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 62267649
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004
5-(hydroxymethyl)furan-3-carboxylic acid
CID 15422126
5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carboxylic acid
CID 62268888
5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
CID 112661456
5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 62268165
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid
CID 62269958
5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
CID 55053760

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid (CID 62267286) is 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid is CCN(Cc1cc(C(=O)O)co1)C(C)C.
What is the InChIKey of 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is WHJATUVBIGJWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-12(8(2)3)6-10-5-9(7-15-10)11(13)14/h5,7-8H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid?
5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62267286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).