5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid

C11H16N2O4 — CID 104609338

IUPAC5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid
SMILESCCNC(=O)CCNCc1cc(C(=O)O)co1
InChIInChI=1S/C11H16N2O4/c1-2-13-10(14)3-4-12-6-9-5-8(7-17-9)11(15)16/h5,7,12H,2-4,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyLXOJERMUMRBKOF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.59
Rot. Bonds7

About 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid

5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 104609338) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid
PubChem CID104609338
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid
SMILESCCNC(=O)CCNCc1cc(C(=O)O)co1
InChIInChI=1S/C11H16N2O4/c1-2-13-10(14)3-4-12-6-9-5-8(7-17-9)11(15)16/h5,7,12H,2-4,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyLXOJERMUMRBKOF-UHFFFAOYSA-N
XLogP0.59
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[[3-(ethylamino)-3-oxopropyl]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-[[3-(methanesulfonamido)propylamino]methyl]furan-3-carboxylic acid
CID 106332873
methyl 5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-3-carboxylate
CID 104585949
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952
methyl 5-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586101
5-[[(4-bromophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608030
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
5-[(3,3-dimethylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104827778
5-(hydroxymethyl)furan-3-carboxylic acid
CID 15422126
5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608743
4-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 113409672
3-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethoxy]benzoic acid
CID 103263163

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid (CID 104609338) is 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid is CCNC(=O)CCNCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is LXOJERMUMRBKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-13-10(14)3-4-12-6-9-5-8(7-17-9)11(15)16/h5,7,12H,2-4,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid?
5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104609338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).