4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid

C11H14N4O3 — CID 66046045

IUPAC4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cc(-c2nnnn2CCCC(=O)O)c(C)o1
InChIInChI=1S/C11H14N4O3/c1-7-6-9(8(2)18-7)11-12-13-14-15(11)5-3-4-10(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyBBXQRFQONXIAHZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.41
Rot. Bonds5

About 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid

4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid (PubChem CID 66046045) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid
PubChem CID66046045
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cc(-c2nnnn2CCCC(=O)O)c(C)o1
InChIInChI=1S/C11H14N4O3/c1-7-6-9(8(2)18-7)11-12-13-14-15(11)5-3-4-10(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyBBXQRFQONXIAHZ-UHFFFAOYSA-N
XLogP1.41
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid
CID 66042566
4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 113400421
4-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66046771
4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 66044137
4-[5-(3,5-dibromophenyl)tetrazol-1-yl]butanoic acid
CID 114023073
4-[5-(4-bromo-2-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 66045097
4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid
CID 66046763
4-[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]butanoic acid
CID 66121681
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
4-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929342
4-[5-(1,3-dihydro-2-benzofuran-5-yl)tetrazol-1-yl]butanoic acid
CID 66045573

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid (CID 66046045) is 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid is Cc1cc(-c2nnnn2CCCC(=O)O)c(C)o1.
What is the InChIKey of 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is BBXQRFQONXIAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-6-9(8(2)18-7)11-12-13-14-15(11)5-3-4-10(16)17/h6H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid?
4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 250.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66046045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).