2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid

C15H26N4O2 — CID 115431503

IUPAC2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(Cn1nnnc1CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H26N4O2/c1-3-15(4-2,14(20)21)11-19-13(16-17-18-19)10-9-12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,20,21)
InChIKeyKOXVRIKPNHBSCR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.69
Rot. Bonds8

About 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid

2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid (PubChem CID 115431503) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid
PubChem CID115431503
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(Cn1nnnc1CCC1CCCC1)C(=O)O
InChIInChI=1S/C15H26N4O2/c1-3-15(4-2,14(20)21)11-19-13(16-17-18-19)10-9-12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,20,21)
InChIKeyKOXVRIKPNHBSCR-UHFFFAOYSA-N
XLogP2.69
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid (CID 115431503) is 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid is CCC(CC)(Cn1nnnc1CCC1CCCC1)C(=O)O.
What is the InChIKey of 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid?
The InChIKey is KOXVRIKPNHBSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-15(4-2,14(20)21)11-19-13(16-17-18-19)10-9-12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid?
2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid has a molecular weight of 294.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115431503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).