1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid

C14H22N4O2 — CID 107003608

IUPAC1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC1c1nnnn1CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H22N4O2/c1-13(2)8-10(13)11-15-16-17-18(11)9-14(12(19)20)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,19,20)
InChIKeyXLYRJKJCMATFFI-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.22
Rot. Bonds4

About 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid

1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 107003608) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID107003608
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC1c1nnnn1CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H22N4O2/c1-13(2)8-10(13)11-15-16-17-18(11)9-14(12(19)20)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,19,20)
InChIKeyXLYRJKJCMATFFI-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437179
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-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid
CID 115444923
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
4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
CID 115440757
1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115451958
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
1-[[5-(3-methylfuran-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437087
1-[[5-(3-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437204

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid (CID 107003608) is 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid is CC1(C)CC1c1nnnn1CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is XLYRJKJCMATFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-13(2)8-10(13)11-15-16-17-18(11)9-14(12(19)20)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107003608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).