3-methyl-2-(tetrazol-1-yl)butanoic acid

C6H10N4O2 — CID 74662543

IUPAC3-methyl-2-(tetrazol-1-yl)butanoic acid
SMILESCC(C)C(C(=O)O)n1cnnn1
InChIInChI=1S/C6H10N4O2/c1-4(2)5(6(11)12)10-3-7-8-9-10/h3-5H,1-2H3,(H,11,12)
InChIKeyIUNVOZGHQBIRHE-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.05
Rot. Bonds3

About 3-methyl-2-(tetrazol-1-yl)butanoic acid

3-methyl-2-(tetrazol-1-yl)butanoic acid (PubChem CID 74662543) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-methyl-2-(tetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(tetrazol-1-yl)butanoic acid
PubChem CID74662543
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-methyl-2-(tetrazol-1-yl)butanoic acid
SMILESCC(C)C(C(=O)O)n1cnnn1
InChIInChI=1S/C6H10N4O2/c1-4(2)5(6(11)12)10-3-7-8-9-10/h3-5H,1-2H3,(H,11,12)
InChIKeyIUNVOZGHQBIRHE-UHFFFAOYSA-N
XLogP-0.05
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(tetrazol-1-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(tetrazol-1-yl)butanoic acid (CID 74662543) is 3-methyl-2-(tetrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(tetrazol-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(tetrazol-1-yl)butanoic acid is CC(C)C(C(=O)O)n1cnnn1.
What is the InChIKey of 3-methyl-2-(tetrazol-1-yl)butanoic acid?
The InChIKey is IUNVOZGHQBIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(2)5(6(11)12)10-3-7-8-9-10/h3-5H,1-2H3,(H,11,12).
What are the key properties of 3-methyl-2-(tetrazol-1-yl)butanoic acid?
3-methyl-2-(tetrazol-1-yl)butanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(tetrazol-1-yl)butanoic acid is sourced from PubChem (CID 74662543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).