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

C14H24N4O2 — CID 81070222

IUPAC3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1CCC1CCCC1
InChIInChI=1S/C14H24N4O2/c1-2-11(9-14(19)20)10-18-13(15-16-17-18)8-7-12-5-3-4-6-12/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyXXRPOGMIAGOPPX-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.30
Rot. Bonds8

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

3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 81070222) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID81070222
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1CCC1CCCC1
InChIInChI=1S/C14H24N4O2/c1-2-11(9-14(19)20)10-18-13(15-16-17-18)8-7-12-5-3-4-6-12/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyXXRPOGMIAGOPPX-UHFFFAOYSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]-2-ethylbutanoic acid
CID 115431503
3-[[5-(2,4,4-trimethylpentyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81067751
3-[[5-(2,2-dimethylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
CID 107185808
3-[[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81068876
3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid
CID 84689166
3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
CID 81067300
3-[5-(cycloheptylmethyl)tetrazol-1-yl]hexanoic acid
CID 114459357
3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid
CID 114877455
2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66046978
3-[[5-(3,5-difluorophenyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81068091
3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81068093
3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81072067

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid (CID 81070222) is 3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid is CCC(CC(=O)O)Cn1nnnc1CCC1CCCC1.
What is the InChIKey of 3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is XXRPOGMIAGOPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-11(9-14(19)20)10-18-13(15-16-17-18)8-7-12-5-3-4-6-12/h11-12H,2-10H2,1H3,(H,19,20).
What are the key properties of 3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid?
3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 81070222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).