4-(5-cycloheptyltetrazol-1-yl)butanoic acid

C12H20N4O2 — CID 66046769

IUPAC4-(5-cycloheptyltetrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1nnnc1C1CCCCCC1
InChIInChI=1S/C12H20N4O2/c17-11(18)8-5-9-16-12(13-14-15-16)10-6-3-1-2-4-7-10/h10H,1-9H2,(H,17,18)
InChIKeyIPSSKRVBMCKLIT-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.98
Rot. Bonds5

About 4-(5-cycloheptyltetrazol-1-yl)butanoic acid

4-(5-cycloheptyltetrazol-1-yl)butanoic acid (PubChem CID 66046769) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(5-cycloheptyltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-cycloheptyltetrazol-1-yl)butanoic acid
PubChem CID66046769
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-(5-cycloheptyltetrazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1nnnc1C1CCCCCC1
InChIInChI=1S/C12H20N4O2/c17-11(18)8-5-9-16-12(13-14-15-16)10-6-3-1-2-4-7-10/h10H,1-9H2,(H,17,18)
InChIKeyIPSSKRVBMCKLIT-UHFFFAOYSA-N
XLogP1.98
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cycloheptyltetrazol-1-yl)butanoic acid?
The IUPAC name of 4-(5-cycloheptyltetrazol-1-yl)butanoic acid (CID 66046769) is 4-(5-cycloheptyltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(5-cycloheptyltetrazol-1-yl)butanoic acid?
The canonical SMILES for 4-(5-cycloheptyltetrazol-1-yl)butanoic acid is O=C(O)CCCn1nnnc1C1CCCCCC1.
What is the InChIKey of 4-(5-cycloheptyltetrazol-1-yl)butanoic acid?
The InChIKey is IPSSKRVBMCKLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c17-11(18)8-5-9-16-12(13-14-15-16)10-6-3-1-2-4-7-10/h10H,1-9H2,(H,17,18).
What are the key properties of 4-(5-cycloheptyltetrazol-1-yl)butanoic acid?
4-(5-cycloheptyltetrazol-1-yl)butanoic acid has a molecular weight of 252.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cycloheptyltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 66046769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).