azanium furan-3-carboxylate

C5H7NO3 — CID 176901239

IUPACazanium furan-3-carboxylate
SMILESO=C([O-])c1ccoc1.[NH4+]
InChIInChI=1S/C5H4O3.H3N/c6-5(7)4-1-2-8-3-4;/h1-3H,(H,6,7);1H3
InChIKeyBOTVCBVNVHUZOQ-UHFFFAOYSA-N
MW129.11 g/mol
LogP0.02
Rot. Bonds1

About azanium furan-3-carboxylate

azanium furan-3-carboxylate (PubChem CID 176901239) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is azanium furan-3-carboxylate.

Molecular Properties

Compound Nameazanium furan-3-carboxylate
PubChem CID176901239
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Nameazanium furan-3-carboxylate
SMILESO=C([O-])c1ccoc1.[NH4+]
InChIInChI=1S/C5H4O3.H3N/c6-5(7)4-1-2-8-3-4;/h1-3H,(H,6,7);1H3
InChIKeyBOTVCBVNVHUZOQ-UHFFFAOYSA-N
XLogP0.02
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azanium furan-3-carboxylate?
The IUPAC name of azanium furan-3-carboxylate (CID 176901239) is azanium furan-3-carboxylate.
What is the SMILES notation for azanium furan-3-carboxylate?
The canonical SMILES for azanium furan-3-carboxylate is O=C([O-])c1ccoc1.[NH4+].
What is the InChIKey of azanium furan-3-carboxylate?
The InChIKey is BOTVCBVNVHUZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O3.H3N/c6-5(7)4-1-2-8-3-4;/h1-3H,(H,6,7);1H3.
What are the key properties of azanium furan-3-carboxylate?
azanium furan-3-carboxylate has a molecular weight of 129.11 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium furan-3-carboxylate is sourced from PubChem (CID 176901239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).