5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid

C10H15NO4 — CID 103230958

IUPAC5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
SMILESCOCCNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO4/c1-7(11-5-6-14-2)8-3-4-9(15-8)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyVPJFEAICEAFWQZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.27
Rot. Bonds6

About 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid

5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid (PubChem CID 103230958) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
PubChem CID103230958
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
SMILESCOCCNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO4/c1-7(11-5-6-14-2)8-3-4-9(15-8)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyVPJFEAICEAFWQZ-UHFFFAOYSA-N
XLogP1.27
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
CID 103245946
5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid
CID 103231980
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
CID 113426720
5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid
CID 79083530
5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
CID 103267053
5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid
CID 114133440
5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
CID 106947351
5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103230075
5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid
CID 103261589
5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253263

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid (CID 103230958) is 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid is COCCNC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid?
The InChIKey is VPJFEAICEAFWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7(11-5-6-14-2)8-3-4-9(15-8)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid?
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103230958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).