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

C8H12N4O3 — CID 81326963

IUPAC2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid
SMILESCC1CCC(c2nnnn2CC(=O)O)O1
InChIInChI=1S/C8H12N4O3/c1-5-2-3-6(15-5)8-9-10-11-12(8)4-7(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyGEHRMKJGTONTBM-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.00
Rot. Bonds3

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

2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid (PubChem CID 81326963) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid
PubChem CID81326963
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid
SMILESCC1CCC(c2nnnn2CC(=O)O)O1
InChIInChI=1S/C8H12N4O3/c1-5-2-3-6(15-5)8-9-10-11-12(8)4-7(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyGEHRMKJGTONTBM-UHFFFAOYSA-N
XLogP-0.00
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 ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid (CID 81326963) is 2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid is CC1CCC(c2nnnn2CC(=O)O)O1.
What is the InChIKey of 2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid?
The InChIKey is GEHRMKJGTONTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5-2-3-6(15-5)8-9-10-11-12(8)4-7(13)14/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid?
2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid has a molecular weight of 212.21 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methyloxolan-2-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 81326963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).