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

C10H15NO5 — CID 103248940

IUPAC3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNCCOCCO
InChIInChI=1S/C10H15NO5/c12-3-6-15-5-2-11-7-8-1-4-16-9(8)10(13)14/h1,4,11-12H,2-3,5-7H2,(H,13,14)
InChIKeyPRYOQPNAHKZGTN-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.08
Rot. Bonds8

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

3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid (PubChem CID 103248940) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid
PubChem CID103248940
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNCCOCCO
InChIInChI=1S/C10H15NO5/c12-3-6-15-5-2-11-7-8-1-4-16-9(8)10(13)14/h1,4,11-12H,2-3,5-7H2,(H,13,14)
InChIKeyPRYOQPNAHKZGTN-UHFFFAOYSA-N
XLogP0.08
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.08
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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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid (CID 103248940) is 3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid is O=C(O)c1occc1CNCCOCCO.
What is the InChIKey of 3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid?
The InChIKey is PRYOQPNAHKZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-3-6-15-5-2-11-7-8-1-4-16-9(8)10(13)14/h1,4,11-12H,2-3,5-7H2,(H,13,14).
What are the key properties of 3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid?
3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103248940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).