2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid

C11H12N2O4 — CID 106534922

IUPAC2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNc1nccc2occc12
InChIInChI=1S/C11H12N2O4/c14-10(15)7-16-6-4-13-11-8-2-5-17-9(8)1-3-12-11/h1-3,5H,4,6-7H2,(H,12,13)(H,14,15)
InChIKeyXIWFRLUMBDZGFV-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.34
Rot. Bonds6

About 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid

2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid (PubChem CID 106534922) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid
PubChem CID106534922
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNc1nccc2occc12
InChIInChI=1S/C11H12N2O4/c14-10(15)7-16-6-4-13-11-8-2-5-17-9(8)1-3-12-11/h1-3,5H,4,6-7H2,(H,12,13)(H,14,15)
InChIKeyXIWFRLUMBDZGFV-UHFFFAOYSA-N
XLogP1.34
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]furo[3,2-c]pyridin-4-amine
CID 106535766
N-(2-methoxyethyl)furo[3,2-c]pyridin-4-amine
CID 90356822
N-(2-but-3-enoxyethyl)furo[3,2-c]pyridin-4-amine
CID 103853692
N-(3-ethoxypropyl)furo[3,2-c]pyridin-4-amine
CID 103702457
N-[2-(4-aminophenoxy)ethyl]furo[3,2-c]pyridin-4-amine
CID 106535273
2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid
CID 106534878
ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate
CID 106534889
N'-furo[3,2-c]pyridin-4-ylpropane-1,3-diamine
CID 106535052
N-(2-bromoprop-2-enyl)furo[3,2-c]pyridin-4-amine
CID 103702761
N'-furo[3,2-c]pyridin-4-ylbutane-1,4-diamine
CID 106535053
N-(2-ethylsulfinylethyl)furo[3,2-c]pyridin-4-amine
CID 103703045
N-(3-methylsulfonylpropyl)furo[3,2-c]pyridin-4-amine
CID 102809398

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid (CID 106534922) is 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid is O=C(O)COCCNc1nccc2occc12.
What is the InChIKey of 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid?
The InChIKey is XIWFRLUMBDZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-10(15)7-16-6-4-13-11-8-2-5-17-9(8)1-3-12-11/h1-3,5H,4,6-7H2,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid?
2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid has a molecular weight of 236.23 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid is sourced from PubChem (CID 106534922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).