3-(2-propan-2-yltetrazol-5-yl)butanoic acid

C8H14N4O2 — CID 84668247

IUPAC3-(2-propan-2-yltetrazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1nnn(C(C)C)n1
InChIInChI=1S/C8H14N4O2/c1-5(2)12-10-8(9-11-12)6(3)4-7(13)14/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyPZWKTRPNCCRNTK-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.83
Rot. Bonds4

About 3-(2-propan-2-yltetrazol-5-yl)butanoic acid

3-(2-propan-2-yltetrazol-5-yl)butanoic acid (PubChem CID 84668247) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-(2-propan-2-yltetrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-propan-2-yltetrazol-5-yl)butanoic acid
PubChem CID84668247
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-(2-propan-2-yltetrazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)c1nnn(C(C)C)n1
InChIInChI=1S/C8H14N4O2/c1-5(2)12-10-8(9-11-12)6(3)4-7(13)14/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyPZWKTRPNCCRNTK-UHFFFAOYSA-N
XLogP0.83
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-di(propan-2-yl)tetrazole
CID 21054922
3-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660177
2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660176
3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)butanoic acid
CID 116989392
3-(1-tert-butylimidazol-4-yl)butanoic acid
CID 83885099
4-hydroxy-3-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid
CID 66130714
argon;3-methylbutanoic acid
CID 158006921
3-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]butanoic acid
CID 66154209
3-(1,3-oxazol-4-yl)butanoic acid
CID 82595524
3-(4-ethylpyrimidin-2-yl)butanoic acid
CID 116899958
3-(tetrazolo[1,5-a]pyridin-8-yl)butanoic acid
CID 83833241
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yltetrazol-5-yl)butanoic acid?
The IUPAC name of 3-(2-propan-2-yltetrazol-5-yl)butanoic acid (CID 84668247) is 3-(2-propan-2-yltetrazol-5-yl)butanoic acid.
What is the SMILES notation for 3-(2-propan-2-yltetrazol-5-yl)butanoic acid?
The canonical SMILES for 3-(2-propan-2-yltetrazol-5-yl)butanoic acid is CC(CC(=O)O)c1nnn(C(C)C)n1.
What is the InChIKey of 3-(2-propan-2-yltetrazol-5-yl)butanoic acid?
The InChIKey is PZWKTRPNCCRNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(2)12-10-8(9-11-12)6(3)4-7(13)14/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-(2-propan-2-yltetrazol-5-yl)butanoic acid?
3-(2-propan-2-yltetrazol-5-yl)butanoic acid has a molecular weight of 198.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yltetrazol-5-yl)butanoic acid is sourced from PubChem (CID 84668247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).