3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid

C8H8N4O3 — CID 82126582

IUPAC3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid
SMILESO=C(O)CC(c1nn[nH]n1)c1ccco1
InChIInChI=1S/C8H8N4O3/c13-7(14)4-5(6-2-1-3-15-6)8-9-11-12-10-8/h1-3,5H,4H2,(H,13,14)(H,9,10,11,12)
InChIKeyFWEGYKPBDZRCKD-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.40
Rot. Bonds4

About 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid

3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid (PubChem CID 82126582) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid
PubChem CID82126582
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid
SMILESO=C(O)CC(c1nn[nH]n1)c1ccco1
InChIInChI=1S/C8H8N4O3/c13-7(14)4-5(6-2-1-3-15-6)8-9-11-12-10-8/h1-3,5H,4H2,(H,13,14)(H,9,10,11,12)
InChIKeyFWEGYKPBDZRCKD-UHFFFAOYSA-N
XLogP0.40
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid?
The IUPAC name of 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid (CID 82126582) is 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid is O=C(O)CC(c1nn[nH]n1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid?
The InChIKey is FWEGYKPBDZRCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c13-7(14)4-5(6-2-1-3-15-6)8-9-11-12-10-8/h1-3,5H,4H2,(H,13,14)(H,9,10,11,12).
What are the key properties of 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid?
3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid has a molecular weight of 208.18 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid is sourced from PubChem (CID 82126582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).