2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid

C8H11NO4 — CID 103238234

IUPAC2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNCCO
InChIInChI=1S/C8H11NO4/c10-3-2-9-5-7-6(8(11)12)1-4-13-7/h1,4,9-10H,2-3,5H2,(H,11,12)
InChIKeyOARWZZFMWGWUSZ-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.06
Rot. Bonds5

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

2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid (PubChem CID 103238234) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
PubChem CID103238234
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNCCO
InChIInChI=1S/C8H11NO4/c10-3-2-9-5-7-6(8(11)12)1-4-13-7/h1,4,9-10H,2-3,5H2,(H,11,12)
InChIKeyOARWZZFMWGWUSZ-UHFFFAOYSA-N
XLogP0.06
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butylaminomethyl)furan-3-carboxylic acid
CID 103232661
2-[(hexylamino)methyl]furan-3-carboxylic acid
CID 103251782
2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]furan-3-carboxylic acid
CID 106178210
2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid
CID 106238447
2-[(furan-2-ylmethylamino)methyl]furan-3-carboxylic acid
CID 103235122
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]furan-3-carboxylic acid
CID 103250212
2-[(2-butoxyethylamino)methyl]furan-3-carboxylic acid
CID 103242710
2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid
CID 103267603
2-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]furan-3-carboxylic acid
CID 114150251
2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid
CID 103262999
2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]furan-3-carboxylic acid
CID 103260311
2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103243030

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid (CID 103238234) is 2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CNCCO.
What is the InChIKey of 2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid?
The InChIKey is OARWZZFMWGWUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-3-2-9-5-7-6(8(11)12)1-4-13-7/h1,4,9-10H,2-3,5H2,(H,11,12).
What are the key properties of 2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid?
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103238234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).