4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid

C11H18N4O2 — CID 80541618

IUPAC4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid
SMILESCC(CCn1nnnc1C1CCCC1)C(=O)O
InChIInChI=1S/C11H18N4O2/c1-8(11(16)17)6-7-15-10(12-13-14-15)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyIDIQFPOEUPCGHH-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.44
Rot. Bonds5

About 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid

4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid (PubChem CID 80541618) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid
PubChem CID80541618
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid
SMILESCC(CCn1nnnc1C1CCCC1)C(=O)O
InChIInChI=1S/C11H18N4O2/c1-8(11(16)17)6-7-15-10(12-13-14-15)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyIDIQFPOEUPCGHH-UHFFFAOYSA-N
XLogP1.44
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid?
The IUPAC name of 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid (CID 80541618) is 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid is CC(CCn1nnnc1C1CCCC1)C(=O)O.
What is the InChIKey of 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid?
The InChIKey is IDIQFPOEUPCGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(11(16)17)6-7-15-10(12-13-14-15)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid?
4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 80541618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).