3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid

C10H16N4O3 — CID 66043024

IUPAC3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1C1CCCCO1
InChIInChI=1S/C10H16N4O3/c1-7(6-9(15)16)14-10(11-12-13-14)8-4-2-3-5-17-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyXUMZBHOOETWNBG-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.95
Rot. Bonds4

About 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid

3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 66043024) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID66043024
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1C1CCCCO1
InChIInChI=1S/C10H16N4O3/c1-7(6-9(15)16)14-10(11-12-13-14)8-4-2-3-5-17-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyXUMZBHOOETWNBG-UHFFFAOYSA-N
XLogP0.95
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid (CID 66043024) is 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid is CC(CC(=O)O)n1nnnc1C1CCCCO1.
What is the InChIKey of 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is XUMZBHOOETWNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(6-9(15)16)14-10(11-12-13-14)8-4-2-3-5-17-8/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid?
3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66043024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).