3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid

C11H14N4O2S — CID 81070340

IUPAC3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cscc1-c1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C11H14N4O2S/c1-7(3-10(16)17)4-15-11(12-13-14-15)9-6-18-5-8(9)2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyUWDDXYURATUJFR-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.82
Rot. Bonds5

About 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid

3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid (PubChem CID 81070340) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid
PubChem CID81070340
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cscc1-c1nnnn1CC(C)CC(=O)O
InChIInChI=1S/C11H14N4O2S/c1-7(3-10(16)17)4-15-11(12-13-14-15)9-6-18-5-8(9)2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyUWDDXYURATUJFR-UHFFFAOYSA-N
XLogP1.82
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid (CID 81070340) is 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid is Cc1cscc1-c1nnnn1CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is UWDDXYURATUJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7(3-10(16)17)4-15-11(12-13-14-15)9-6-18-5-8(9)2/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid?
3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 266.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(4-methylthiophen-3-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 81070340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).