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

C11H18N4O3 — CID 114106456

IUPAC3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid
SMILESCCC1OCCC1c1nnnn1C(C)CC(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-9-8(4-5-18-9)11-12-13-14-15(11)7(2)6-10(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyLSYSUJJAKJMIJH-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.99
Rot. Bonds5

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

3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid (PubChem CID 114106456) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid
PubChem CID114106456
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid
SMILESCCC1OCCC1c1nnnn1C(C)CC(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-9-8(4-5-18-9)11-12-13-14-15(11)7(2)6-10(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyLSYSUJJAKJMIJH-UHFFFAOYSA-N
XLogP0.99
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid (CID 114106456) is 3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid is CCC1OCCC1c1nnnn1C(C)CC(=O)O.
What is the InChIKey of 3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is LSYSUJJAKJMIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-9-8(4-5-18-9)11-12-13-14-15(11)7(2)6-10(16)17/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid?
3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 114106456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).