1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid

C8H12N4O2 — CID 22660135

IUPAC1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cn2cnnn2)CCCC1
InChIInChI=1S/C8H12N4O2/c13-7(14)8(3-1-2-4-8)5-12-6-9-10-11-12/h6H,1-5H2,(H,13,14)
InChIKeyVRYBNZBVCHQXET-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.32
Rot. Bonds3

About 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid

1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 22660135) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID22660135
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cn2cnnn2)CCCC1
InChIInChI=1S/C8H12N4O2/c13-7(14)8(3-1-2-4-8)5-12-6-9-10-11-12/h6H,1-5H2,(H,13,14)
InChIKeyVRYBNZBVCHQXET-UHFFFAOYSA-N
XLogP0.32
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid (CID 22660135) is 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid is O=C(O)C1(Cn2cnnn2)CCCC1.
What is the InChIKey of 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is VRYBNZBVCHQXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7(14)8(3-1-2-4-8)5-12-6-9-10-11-12/h6H,1-5H2,(H,13,14).
What are the key properties of 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid?
1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22660135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).