3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid

C14H24N4O2 — CID 107185808

IUPAC3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1C1CCCC1(C)C
InChIInChI=1S/C14H24N4O2/c1-4-10(8-12(19)20)9-18-13(15-16-17-18)11-6-5-7-14(11,2)3/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeySCKVOUGAVHPRNY-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.47
Rot. Bonds6

About 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid

3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 107185808) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID107185808
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1C1CCCC1(C)C
InChIInChI=1S/C14H24N4O2/c1-4-10(8-12(19)20)9-18-13(15-16-17-18)11-6-5-7-14(11,2)3/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKeySCKVOUGAVHPRNY-UHFFFAOYSA-N
XLogP2.47
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid (CID 107185808) is 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid is CCC(CC(=O)O)Cn1nnnc1C1CCCC1(C)C.
What is the InChIKey of 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is SCKVOUGAVHPRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-10(8-12(19)20)9-18-13(15-16-17-18)11-6-5-7-14(11,2)3/h10-11H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid?
3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 107185808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).