5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid

C14H16N2O4 — CID 117097680

IUPAC5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid
SMILESNCCNc1cccc(OCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C14H16N2O4/c15-6-7-16-10-2-1-3-11(8-10)19-9-12-4-5-13(20-12)14(17)18/h1-5,8,16H,6-7,9,15H2,(H,17,18)
InChIKeyWSNOHXRWGCNQPY-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.93
Rot. Bonds7

About 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid

5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid (PubChem CID 117097680) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid
PubChem CID117097680
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid
SMILESNCCNc1cccc(OCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C14H16N2O4/c15-6-7-16-10-2-1-3-11(8-10)19-9-12-4-5-13(20-12)14(17)18/h1-5,8,16H,6-7,9,15H2,(H,17,18)
InChIKeyWSNOHXRWGCNQPY-UHFFFAOYSA-N
XLogP1.93
TPSA97.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63574857
5-[[3-(cyanomethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63317142
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860
5-[(3-methanehydrazonoylphenoxy)methyl]furan-2-carboxylic acid
CID 168530565
5-[(3-bromo-4-fluorophenoxy)methyl]furan-2-carboxylic acid
CID 83233800
2-[3-(2-aminoethylamino)phenoxy]propanoic acid
CID 117097635
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-[[3-[(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 168535569
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406860

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid (CID 117097680) is 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid is NCCNc1cccc(OCc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is WSNOHXRWGCNQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c15-6-7-16-10-2-1-3-11(8-10)19-9-12-4-5-13(20-12)14(17)18/h1-5,8,16H,6-7,9,15H2,(H,17,18).
What are the key properties of 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid?
5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 117097680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).