4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid

C11H14N4O3S — CID 81139740

IUPAC4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid
SMILESCOc1csc(-c2nnnn2CC(C)CC(=O)O)c1
InChIInChI=1S/C11H14N4O3S/c1-7(3-10(16)17)5-15-11(12-13-14-15)9-4-8(18-2)6-19-9/h4,6-7H,3,5H2,1-2H3,(H,16,17)
InChIKeySNWLJWNZWWWEGY-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.52
Rot. Bonds6

About 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid

4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid (PubChem CID 81139740) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid
PubChem CID81139740
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid
SMILESCOc1csc(-c2nnnn2CC(C)CC(=O)O)c1
InChIInChI=1S/C11H14N4O3S/c1-7(3-10(16)17)5-15-11(12-13-14-15)9-4-8(18-2)6-19-9/h4,6-7H,3,5H2,1-2H3,(H,16,17)
InChIKeySNWLJWNZWWWEGY-UHFFFAOYSA-N
XLogP1.52
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid?
The IUPAC name of 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid (CID 81139740) is 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid?
The canonical SMILES for 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid is COc1csc(-c2nnnn2CC(C)CC(=O)O)c1.
What is the InChIKey of 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid?
The InChIKey is SNWLJWNZWWWEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7(3-10(16)17)5-15-11(12-13-14-15)9-4-8(18-2)6-19-9/h4,6-7H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid?
4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid has a molecular weight of 282.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 81139740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).