2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid

C10H16N4O2 — CID 82228275

IUPAC2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid
SMILESCC1CCCCC1n1nnnc1CC(=O)O
InChIInChI=1S/C10H16N4O2/c1-7-4-2-3-5-8(7)14-9(6-10(15)16)11-12-13-14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyGLRSQFDMRBHVHD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.05
Rot. Bonds3

About 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid

2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid (PubChem CID 82228275) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid
PubChem CID82228275
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid
SMILESCC1CCCCC1n1nnnc1CC(=O)O
InChIInChI=1S/C10H16N4O2/c1-7-4-2-3-5-8(7)14-9(6-10(15)16)11-12-13-14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyGLRSQFDMRBHVHD-UHFFFAOYSA-N
XLogP1.05
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole
CID 62736611
N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737427
2-methoxy-N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737252
N-[[1-(2-methylcyclopentyl)tetrazol-5-yl]methyl]propan-1-amine
CID 63281708
5-(chloromethyl)-1-(2,3-dimethylcyclohexyl)tetrazole
CID 62736609
2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 94021052
2-[1-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]cyclohexyl]acetic acid
CID 65242716
2-(1-tert-butyltetrazol-5-yl)acetic acid
CID 83876391
N,N-diethyl-4-(2-methylcyclohexyl)-5-oxotetrazole-1-carboxamide
CID 19973064
N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62763138
1-(2-methylcyclohexyl)benzotriazole-5-carboxylic acid
CID 43187095
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63997160

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid (CID 82228275) is 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid is CC1CCCCC1n1nnnc1CC(=O)O.
What is the InChIKey of 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid?
The InChIKey is GLRSQFDMRBHVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-4-2-3-5-8(7)14-9(6-10(15)16)11-12-13-14/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid?
2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 82228275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).