2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid

C7H10N4O3 — CID 66041365

IUPAC2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1C1CCOC1
InChIInChI=1S/C7H10N4O3/c12-6(13)3-11-7(8-9-10-11)5-1-2-14-4-5/h5H,1-4H2,(H,12,13)
InChIKeyQXUIRHYXLYSZSF-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.74
Rot. Bonds3

About 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid

2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid (PubChem CID 66041365) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid
PubChem CID66041365
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1C1CCOC1
InChIInChI=1S/C7H10N4O3/c12-6(13)3-11-7(8-9-10-11)5-1-2-14-4-5/h5H,1-4H2,(H,12,13)
InChIKeyQXUIRHYXLYSZSF-UHFFFAOYSA-N
XLogP-0.74
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid (CID 66041365) is 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1C1CCOC1.
What is the InChIKey of 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid?
The InChIKey is QXUIRHYXLYSZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-6(13)3-11-7(8-9-10-11)5-1-2-14-4-5/h5H,1-4H2,(H,12,13).
What are the key properties of 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid?
2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid has a molecular weight of 198.18 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-3-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66041365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).