4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid

C15H26N4O2 — CID 107474963

IUPAC4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCC1CCCC1c1nnnn1CC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H26N4O2/c1-10-6-5-7-12(10)13-16-17-18-19(13)9-11(14(20)21)8-15(2,3)4/h10-12H,5-9H2,1-4H3,(H,20,21)
InChIKeyFQOAUFGXSRSLQD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.71
Rot. Bonds5

About 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid

4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 107474963) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID107474963
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCC1CCCC1c1nnnn1CC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H26N4O2/c1-10-6-5-7-12(10)13-16-17-18-19(13)9-11(14(20)21)8-15(2,3)4/h10-12H,5-9H2,1-4H3,(H,20,21)
InChIKeyFQOAUFGXSRSLQD-UHFFFAOYSA-N
XLogP2.71
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid (CID 107474963) is 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid is CC1CCCC1c1nnnn1CC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is FQOAUFGXSRSLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10-6-5-7-12(10)13-16-17-18-19(13)9-11(14(20)21)8-15(2,3)4/h10-12H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid?
4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 294.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 107474963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).