1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid

C14H22N4O2 — CID 115437179

IUPAC1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2C2CCCC2)CCCCC1
InChIInChI=1S/C14H22N4O2/c19-13(20)14(8-4-1-5-9-14)10-18-12(15-16-17-18)11-6-2-3-7-11/h11H,1-10H2,(H,19,20)
InChIKeyBEAFFHSUWTYYEY-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.37
Rot. Bonds4

About 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid

1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 115437179) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID115437179
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2C2CCCC2)CCCCC1
InChIInChI=1S/C14H22N4O2/c19-13(20)14(8-4-1-5-9-14)10-18-12(15-16-17-18)11-6-2-3-7-11/h11H,1-10H2,(H,19,20)
InChIKeyBEAFFHSUWTYYEY-UHFFFAOYSA-N
XLogP2.37
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437185
1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437171
1-[[5-(1,1-dioxothiolan-3-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447114
1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 107003608
1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115451958
4-(5-cycloheptyltetrazol-1-yl)butanoic acid
CID 66046769
4-(5-cyclopentyltetrazol-1-yl)butanoic acid
CID 66045339
1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid
CID 115444923
3-(5-cyclooctyltetrazol-1-yl)-2-methylpropanoic acid
CID 66047218
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
1-[[5-(methoxymethyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434603
1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437134

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid (CID 115437179) is 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2C2CCCC2)CCCCC1.
What is the InChIKey of 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BEAFFHSUWTYYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-13(20)14(8-4-1-5-9-14)10-18-12(15-16-17-18)11-6-2-3-7-11/h11H,1-10H2,(H,19,20).
What are the key properties of 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115437179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).