3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid

C10H16N4O2 — CID 84689166

IUPAC3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nnnn1CC1CCCC1
InChIInChI=1S/C10H16N4O2/c15-10(16)6-5-9-11-12-13-14(9)7-8-3-1-2-4-8/h8H,1-7H2,(H,15,16)
InChIKeyIPRRVBJITOZKKK-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.88
Rot. Bonds5

About 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid

3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid (PubChem CID 84689166) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid
PubChem CID84689166
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nnnn1CC1CCCC1
InChIInChI=1S/C10H16N4O2/c15-10(16)6-5-9-11-12-13-14(9)7-8-3-1-2-4-8/h8H,1-7H2,(H,15,16)
InChIKeyIPRRVBJITOZKKK-UHFFFAOYSA-N
XLogP0.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid?
The IUPAC name of 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid (CID 84689166) is 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid is O=C(O)CCc1nnnn1CC1CCCC1.
What is the InChIKey of 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid?
The InChIKey is IPRRVBJITOZKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-10(16)6-5-9-11-12-13-14(9)7-8-3-1-2-4-8/h8H,1-7H2,(H,15,16).
What are the key properties of 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid?
3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid is sourced from PubChem (CID 84689166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).