3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid

C11H13ClN4O3 — CID 106690589

IUPAC3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1-c1ccc(Cl)o1
InChIInChI=1S/C11H13ClN4O3/c1-2-7(5-10(17)18)6-16-11(13-14-15-16)8-3-4-9(12)19-8/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyUVTRLBQYXQDBEU-UHFFFAOYSA-N
MW284.70 g/mol
LogP2.09
Rot. Bonds6

About 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid

3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 106690589) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID106690589
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1-c1ccc(Cl)o1
InChIInChI=1S/C11H13ClN4O3/c1-2-7(5-10(17)18)6-16-11(13-14-15-16)8-3-4-9(12)19-8/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyUVTRLBQYXQDBEU-UHFFFAOYSA-N
XLogP2.09
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid with MolForge

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Related Compounds

3-[[5-(5-bromofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81071402
3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81070225
3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81072067
3-[[5-(3,5-difluorophenyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81068091
3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81068093
3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81068876
3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81067300
4-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
CID 106690598
3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid
CID 114227252
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591
4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
3-[[5-(2,4,4-trimethylpentyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81067751

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid (CID 106690589) is 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid is CCC(CC(=O)O)Cn1nnnc1-c1ccc(Cl)o1.
What is the InChIKey of 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is UVTRLBQYXQDBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c1-2-7(5-10(17)18)6-16-11(13-14-15-16)8-3-4-9(12)19-8/h3-4,7H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 284.70 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 106690589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).