3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid

C12H20N4O2 — CID 107185767

IUPAC3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid
SMILESCC1(C)CCCCC1c1nnnn1CCC(=O)O
InChIInChI=1S/C12H20N4O2/c1-12(2)7-4-3-5-9(12)11-13-14-15-16(11)8-6-10(17)18/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyUSUCPGIQDAXRTG-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.83
Rot. Bonds4

About 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid

3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid (PubChem CID 107185767) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid
PubChem CID107185767
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid
SMILESCC1(C)CCCCC1c1nnnn1CCC(=O)O
InChIInChI=1S/C12H20N4O2/c1-12(2)7-4-3-5-9(12)11-13-14-15-16(11)8-6-10(17)18/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyUSUCPGIQDAXRTG-UHFFFAOYSA-N
XLogP1.83
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-cyclopentyltetrazol-1-yl)butanoic acid
CID 66045339
4-(5-cycloheptyltetrazol-1-yl)butanoic acid
CID 66046769
1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 107003608
2-[[4-cyclopropyl-5-(2,2-dimethylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 107180106
4-(5-cyclopentyltetrazol-1-yl)-2-methylbutanoic acid
CID 80541618
1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437185
3-[1-(cyclopentylmethyl)tetrazol-5-yl]propanoic acid
CID 84689166
2-[[5-(2,2-dimethylcyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 107180102
[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 107186329
3-(5-cyclooctyltetrazol-1-yl)-2-methylpropanoic acid
CID 66047218
1-[[5-(1,1-dioxothiolan-3-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447114
1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437171

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid (CID 107185767) is 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid is CC1(C)CCCCC1c1nnnn1CCC(=O)O.
What is the InChIKey of 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid?
The InChIKey is USUCPGIQDAXRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2)7-4-3-5-9(12)11-13-14-15-16(11)8-6-10(17)18/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid?
3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid has a molecular weight of 252.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylcyclohexyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 107185767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).