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

C10H12N4O2S — CID 79788474

IUPAC2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
SMILESCCC(C)(C(=O)O)n1nnnc1-c1ccsc1
InChIInChI=1S/C10H12N4O2S/c1-3-10(2,9(15)16)14-8(11-12-13-14)7-4-5-17-6-7/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyVPZQWHCIQNTEED-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.61
Rot. Bonds4

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

2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid (PubChem CID 79788474) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
PubChem CID79788474
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
SMILESCCC(C)(C(=O)O)n1nnnc1-c1ccsc1
InChIInChI=1S/C10H12N4O2S/c1-3-10(2,9(15)16)14-8(11-12-13-14)7-4-5-17-6-7/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyVPZQWHCIQNTEED-UHFFFAOYSA-N
XLogP1.61
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
The IUPAC name of 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid (CID 79788474) is 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
The canonical SMILES for 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid is CCC(C)(C(=O)O)n1nnnc1-c1ccsc1.
What is the InChIKey of 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
The InChIKey is VPZQWHCIQNTEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-3-10(2,9(15)16)14-8(11-12-13-14)7-4-5-17-6-7/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid has a molecular weight of 252.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 79788474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).