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

C10H14N2O5 — CID 106238447

IUPAC2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid
SMILESNC(=O)COCCNCc1occc1C(=O)O
InChIInChI=1S/C10H14N2O5/c11-9(13)6-16-4-2-12-5-8-7(10(14)15)1-3-17-8/h1,3,12H,2,4-6H2,(H2,11,13)(H,14,15)
InChIKeyFINIMLVDZUKCRD-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.43
Rot. Bonds8

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

2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid (PubChem CID 106238447) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid
PubChem CID106238447
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid
SMILESNC(=O)COCCNCc1occc1C(=O)O
InChIInChI=1S/C10H14N2O5/c11-9(13)6-16-4-2-12-5-8-7(10(14)15)1-3-17-8/h1,3,12H,2,4-6H2,(H2,11,13)(H,14,15)
InChIKeyFINIMLVDZUKCRD-UHFFFAOYSA-N
XLogP-0.43
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.43
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-[(2-butoxyethylamino)methyl]furan-3-carboxylic acid
CID 103242710
2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid
CID 103267603
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
CID 103238234
2-(butylaminomethyl)furan-3-carboxylic acid
CID 103232661
2-[(hexylamino)methyl]furan-3-carboxylic acid
CID 103251782
2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-1-benzofuran-3-carboxylic acid
CID 106238438
2-[[(4-methylcyclohexyl)methylamino]methyl]furan-3-carboxylic acid
CID 103250437
5-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106238420
2-[(furan-2-ylmethylamino)methyl]furan-3-carboxylic acid
CID 103235122
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]furan-3-carboxylic acid
CID 103250212
3-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-1-benzothiophene-2-carboxylic acid
CID 106238437
2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide
CID 106235049

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid (CID 106238447) is 2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid is NC(=O)COCCNCc1occc1C(=O)O.
What is the InChIKey of 2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid?
The InChIKey is FINIMLVDZUKCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c11-9(13)6-16-4-2-12-5-8-7(10(14)15)1-3-17-8/h1,3,12H,2,4-6H2,(H2,11,13)(H,14,15).
What are the key properties of 2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid?
2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of -0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 106238447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).