3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid

C11H14N4O2S — CID 82225831

IUPAC3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)n1nnnc1-c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-3-7(2)9(11(16)17)15-10(12-13-14-15)8-5-4-6-18-8/h4-7,9H,3H2,1-2H3,(H,16,17)
InChIKeyDRQVVYQCCLOKGY-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.07
Rot. Bonds5

About 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid

3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid (PubChem CID 82225831) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid
PubChem CID82225831
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)n1nnnc1-c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-3-7(2)9(11(16)17)15-10(12-13-14-15)8-5-4-6-18-8/h4-7,9H,3H2,1-2H3,(H,16,17)
InChIKeyDRQVVYQCCLOKGY-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid
CID 82225842
2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]-3-methylpentanoic acid
CID 82225858
2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid
CID 113416689
4-methylsulfanyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]butanoic acid
CID 82226004
(2R,3R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoic acid
CID 94654599
2-(5-thiophen-2-yltetrazol-1-yl)ethanol
CID 19860448
2-[5-(4-methoxyphenyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 82225945
2-[5-(3-bromophenyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 82225942
3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 43356462
4-[(5-thiophen-2-yltetrazol-1-yl)methyl]oxane-4-carboxylic acid
CID 115440701
ethyl 1-(2-ethylbutyl)-5-thiophen-2-yltriazole-4-carboxylate
CID 102645463
N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 63292400

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid?
The IUPAC name of 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid (CID 82225831) is 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid?
The canonical SMILES for 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid is CCC(C)C(C(=O)O)n1nnnc1-c1cccs1.
What is the InChIKey of 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid?
The InChIKey is DRQVVYQCCLOKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-7(2)9(11(16)17)15-10(12-13-14-15)8-5-4-6-18-8/h4-7,9H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid?
3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid has a molecular weight of 266.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-thiophen-2-yltetrazol-1-yl)pentanoic acid is sourced from PubChem (CID 82225831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).