3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid

C11H20N4O3 — CID 113374865

IUPAC3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
SMILESCOC(C)c1nnnn1C(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N4O3/c1-7(18-5)10-12-13-14-15(10)8(6-9(16)17)11(2,3)4/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyUKZNJZHYUJJKNY-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.44
Rot. Bonds5

About 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid

3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid (PubChem CID 113374865) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
PubChem CID113374865
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
SMILESCOC(C)c1nnnn1C(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H20N4O3/c1-7(18-5)10-12-13-14-15(10)8(6-9(16)17)11(2,3)4/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyUKZNJZHYUJJKNY-UHFFFAOYSA-N
XLogP1.44
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid (CID 113374865) is 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid is COC(C)c1nnnn1C(CC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid?
The InChIKey is UKZNJZHYUJJKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-7(18-5)10-12-13-14-15(10)8(6-9(16)17)11(2,3)4/h7-8H,6H2,1-5H3,(H,16,17).
What are the key properties of 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid?
3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid has a molecular weight of 256.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 113374865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).