2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid

C12H19NO4 — CID 103267603

IUPAC2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid
SMILESCC(C)COCCNCc1occc1C(=O)O
InChIInChI=1S/C12H19NO4/c1-9(2)8-16-6-4-13-7-11-10(12(14)15)3-5-17-11/h3,5,9,13H,4,6-8H2,1-2H3,(H,14,15)
InChIKeyZHPXSZJGQAYHJJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.74
Rot. Bonds8

About 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid

2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid (PubChem CID 103267603) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid
PubChem CID103267603
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid
SMILESCC(C)COCCNCc1occc1C(=O)O
InChIInChI=1S/C12H19NO4/c1-9(2)8-16-6-4-13-7-11-10(12(14)15)3-5-17-11/h3,5,9,13H,4,6-8H2,1-2H3,(H,14,15)
InChIKeyZHPXSZJGQAYHJJ-UHFFFAOYSA-N
XLogP1.74
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-(2-methylpropoxy)ethylamino]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

2-[(2-butoxyethylamino)methyl]furan-3-carboxylic acid
CID 103242710
2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid
CID 106238447
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
CID 103238234
2-(butylaminomethyl)furan-3-carboxylic acid
CID 103232661
2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103243030
methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate
CID 115904855
2-[(hexylamino)methyl]furan-3-carboxylic acid
CID 103251782
2-[(1-methoxybutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103253458
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]furan-3-carboxylic acid
CID 103250212
2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
CID 103259795
2-[[(4-methylcyclohexyl)methylamino]methyl]furan-3-carboxylic acid
CID 103250437

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid (CID 103267603) is 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid is CC(C)COCCNCc1occc1C(=O)O.
What is the InChIKey of 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid?
The InChIKey is ZHPXSZJGQAYHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-9(2)8-16-6-4-13-7-11-10(12(14)15)3-5-17-11/h3,5,9,13H,4,6-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid?
2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103267603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).