1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid

C24H34N4O2 — CID 70929843

IUPAC1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
SMILESO=C(O)C12CCCC3CC1CC(C14CC5CC(c6nn[nH]n6)CC(C1)C(C5)C4)(C3)C2
InChIInChI=1S/C24H34N4O2/c29-21(30)24-3-1-2-14-6-19(24)12-23(8-14,13-24)22-9-15-4-16(20-25-27-28-26-20)7-18(11-22)17(5-15)10-22/h14-19H,1-13H2,(H,29,30)(H,25,26,27,28)
InChIKeyLULGHWSOQJMLJH-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.56
Rot. Bonds3

About 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid

1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid (PubChem CID 70929843) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
PubChem CID70929843
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
SMILESO=C(O)C12CCCC3CC1CC(C14CC5CC(c6nn[nH]n6)CC(C1)C(C5)C4)(C3)C2
InChIInChI=1S/C24H34N4O2/c29-21(30)24-3-1-2-14-6-19(24)12-23(8-14,13-24)22-9-15-4-16(20-25-27-28-26-20)7-18(11-22)17(5-15)10-22/h14-19H,1-13H2,(H,29,30)(H,25,26,27,28)
InChIKeyLULGHWSOQJMLJH-UHFFFAOYSA-N
XLogP4.56
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid with MolForge

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Related Compounds

1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
CID 70929883
1-[5-(dimethylcarbamoyl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
CID 70929829
1-[5-[cyclohexyl(ethyl)carbamoyl]-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
CID 70929841
1-[5-[methyl-(4-phenylcyclohexyl)carbamoyl]-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
CID 70929840
methyl 1-[5-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylate
CID 70929861
3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid
CID 67107417
5-[3,5-bis(trifluoromethyl)cyclohexyl]-2H-tetrazole
CID 146619220
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
1-phenyl-6-(2H-tetrazol-5-yl)-8-azabicyclo[3.2.1]octane
CID 90794245
1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 154843219
(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97240858
2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 167851854

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid?
The IUPAC name of 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid (CID 70929843) is 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid.
What is the SMILES notation for 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid?
The canonical SMILES for 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid is O=C(O)C12CCCC3CC1CC(C14CC5CC(c6nn[nH]n6)CC(C1)C(C5)C4)(C3)C2.
What is the InChIKey of 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid?
The InChIKey is LULGHWSOQJMLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c29-21(30)24-3-1-2-14-6-19(24)12-23(8-14,13-24)22-9-15-4-16(20-25-27-28-26-20)7-18(11-22)17(5-15)10-22/h14-19H,1-13H2,(H,29,30)(H,25,26,27,28).
What are the key properties of 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid?
1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid has a molecular weight of 410.56 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid is sourced from PubChem (CID 70929843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).