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

C8H12N4O3 — CID 66042373

IUPAC2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1C1CCCOC1
InChIInChI=1S/C8H12N4O3/c13-7(14)4-12-8(9-10-11-12)6-2-1-3-15-5-6/h6H,1-5H2,(H,13,14)
InChIKeyFMMWWHDPBXJHOB-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.35
Rot. Bonds3

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

2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid (PubChem CID 66042373) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid
PubChem CID66042373
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1C1CCCOC1
InChIInChI=1S/C8H12N4O3/c13-7(14)4-12-8(9-10-11-12)6-2-1-3-15-5-6/h6H,1-5H2,(H,13,14)
InChIKeyFMMWWHDPBXJHOB-UHFFFAOYSA-N
XLogP-0.35
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid (CID 66042373) is 2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1C1CCCOC1.
What is the InChIKey of 2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid?
The InChIKey is FMMWWHDPBXJHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-7(14)4-12-8(9-10-11-12)6-2-1-3-15-5-6/h6H,1-5H2,(H,13,14).
What are the key properties of 2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid?
2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid has a molecular weight of 212.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxan-3-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66042373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).