2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid

C12H20N4O3 — CID 79810085

IUPAC2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1C1CCCCO1
InChIInChI=1S/C12H20N4O3/c1-3-12(4-2,11(17)18)16-10(13-14-15-16)9-7-5-6-8-19-9/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyKZHLOQXPSXJWTN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.51
Rot. Bonds5

About 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid

2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 79810085) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID79810085
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1C1CCCCO1
InChIInChI=1S/C12H20N4O3/c1-3-12(4-2,11(17)18)16-10(13-14-15-16)9-7-5-6-8-19-9/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyKZHLOQXPSXJWTN-UHFFFAOYSA-N
XLogP1.51
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid
CID 66040800
2-Methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66040993
2-Methyl-2-[5-(oxan-2-yl)tetrazol-1-yl]propanoic acid
CID 66041193
2-Methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid
CID 66041195
2-Methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid
CID 66041604
2-Methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66041803
2-Methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid
CID 66041805
2-Methyl-2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid
CID 66041999
2-[5-(Oxan-2-yl)tetrazol-1-yl]propanoic acid
CID 66042978
3-[5-(Oxan-2-yl)tetrazol-1-yl]butanoic acid
CID 66043024
2-Methyl-2-[5-(2-methyloxolan-3-yl)tetrazol-1-yl]propanoic acid
CID 79763198
2-Methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]butanoic acid
CID 79788477

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid (CID 79810085) is 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid is CCC(CC)(C(=O)O)n1nnnc1C1CCCCO1.
What is the InChIKey of 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is KZHLOQXPSXJWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-12(4-2,11(17)18)16-10(13-14-15-16)9-7-5-6-8-19-9/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid?
2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 268.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79810085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).