1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid

C12H14N4O3S — CID 115447118

IUPAC1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESCOc1csc(-c2nnnn2CC2(C(=O)O)CCC2)c1
InChIInChI=1S/C12H14N4O3S/c1-19-8-5-9(20-6-8)10-13-14-15-16(10)7-12(11(17)18)3-2-4-12/h5-6H,2-4,7H2,1H3,(H,17,18)
InChIKeyULDDQSVTAXKKOU-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.67
Rot. Bonds5

About 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid

1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115447118) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
PubChem CID115447118
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESCOc1csc(-c2nnnn2CC2(C(=O)O)CCC2)c1
InChIInChI=1S/C12H14N4O3S/c1-19-8-5-9(20-6-8)10-13-14-15-16(10)7-12(11(17)18)3-2-4-12/h5-6H,2-4,7H2,1H3,(H,17,18)
InChIKeyULDDQSVTAXKKOU-UHFFFAOYSA-N
XLogP1.67
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311513
1-[[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447220
4-[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81139740
1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311517
1-[[5-(thiadiazol-4-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311520
1-[[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447137
1-[[5-(3-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437204
1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 107967099
1-[[5-(2-methoxy-5-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115452033
1-[[5-(6-methyl-4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 136812897
1-[[5-(methoxymethyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434603
1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447213

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid (CID 115447118) is 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid is COc1csc(-c2nnnn2CC2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ULDDQSVTAXKKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-19-8-5-9(20-6-8)10-13-14-15-16(10)7-12(11(17)18)3-2-4-12/h5-6H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115447118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).