2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid

C13H22N4O2 — CID 82225830

IUPAC2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)n1nnnc1C1CCCCC1
InChIInChI=1S/C13H22N4O2/c1-3-9(2)11(13(18)19)17-12(14-15-16-17)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyBUPATNCTQKCPAV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.39
Rot. Bonds5

About 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid

2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid (PubChem CID 82225830) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid
PubChem CID82225830
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)n1nnnc1C1CCCCC1
InChIInChI=1S/C13H22N4O2/c1-3-9(2)11(13(18)19)17-12(14-15-16-17)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyBUPATNCTQKCPAV-UHFFFAOYSA-N
XLogP2.39
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid?
The IUPAC name of 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid (CID 82225830) is 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid.
What is the SMILES notation for 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid?
The canonical SMILES for 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid is CCC(C)C(C(=O)O)n1nnnc1C1CCCCC1.
What is the InChIKey of 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid?
The InChIKey is BUPATNCTQKCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-9(2)11(13(18)19)17-12(14-15-16-17)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid?
2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyltetrazol-1-yl)-3-methylpentanoic acid is sourced from PubChem (CID 82225830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).