5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid

C11H17NO5 — CID 106305544

IUPAC5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCCCOCCO)o1
InChIInChI=1S/C11H17NO5/c13-5-7-16-6-1-4-12-8-9-2-3-10(17-9)11(14)15/h2-3,12-13H,1,4-8H2,(H,14,15)
InChIKeyZWFWHDSSCFJCBJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.47
Rot. Bonds9

About 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid

5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid (PubChem CID 106305544) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
PubChem CID106305544
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCCCOCCO)o1
InChIInChI=1S/C11H17NO5/c13-5-7-16-6-1-4-12-8-9-2-3-10(17-9)11(14)15/h2-3,12-13H,1,4-8H2,(H,14,15)
InChIKeyZWFWHDSSCFJCBJ-UHFFFAOYSA-N
XLogP0.47
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid
CID 63317129
methyl 5-[[4-(2-methoxyethoxy)butylamino]methyl]furan-2-carboxylate
CID 115905245
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
2-[[3-(2-hydroxyethoxy)propylamino]methyl]-1-benzofuran-3-carboxylic acid
CID 106305518
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
3-[[3-(2-hydroxyethoxy)propylamino]methyl]thiophene-2-carboxylic acid
CID 106305535
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
CID 103992731
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232167

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid (CID 106305544) is 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNCCCOCCO)o1.
What is the InChIKey of 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid?
The InChIKey is ZWFWHDSSCFJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c13-5-7-16-6-1-4-12-8-9-2-3-10(17-9)11(14)15/h2-3,12-13H,1,4-8H2,(H,14,15).
What are the key properties of 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid?
5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106305544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).