2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid

C10H16N4O3 — CID 66041565

IUPAC2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid
SMILESCC1OC(C)C(c2nnnn2CC(=O)O)C1C
InChIInChI=1S/C10H16N4O3/c1-5-6(2)17-7(3)9(5)10-11-12-13-14(10)4-8(15)16/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyGPUGQLYSQOCCGW-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.28
Rot. Bonds3

About 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid

2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid (PubChem CID 66041565) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid
PubChem CID66041565
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid
SMILESCC1OC(C)C(c2nnnn2CC(=O)O)C1C
InChIInChI=1S/C10H16N4O3/c1-5-6(2)17-7(3)9(5)10-11-12-13-14(10)4-8(15)16/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyGPUGQLYSQOCCGW-UHFFFAOYSA-N
XLogP0.28
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid (CID 66041565) is 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid is CC1OC(C)C(c2nnnn2CC(=O)O)C1C.
What is the InChIKey of 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid?
The InChIKey is GPUGQLYSQOCCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5-6(2)17-7(3)9(5)10-11-12-13-14(10)4-8(15)16/h5-7,9H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid?
2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66041565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).