1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid

C14H15IN4O2 — CID 115434677

IUPAC1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2-c2ccccc2I)CCCC1
InChIInChI=1S/C14H15IN4O2/c15-11-6-2-1-5-10(11)12-16-17-18-19(12)9-14(13(20)21)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,20,21)
InChIKeySDMPKKKTHQFCDX-UHFFFAOYSA-N
MW398.20 g/mol
LogP2.59
Rot. Bonds4

About 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid

1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434677) has the molecular formula C14H15IN4O2 and a molecular weight of 398.20 g/mol. Its IUPAC name is 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434677
Molecular FormulaC14H15IN4O2
Molecular Weight398.20 g/mol
Exact Mass398.02
IUPAC Name1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2-c2ccccc2I)CCCC1
InChIInChI=1S/C14H15IN4O2/c15-11-6-2-1-5-10(11)12-16-17-18-19(12)9-14(13(20)21)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,20,21)
InChIKeySDMPKKKTHQFCDX-UHFFFAOYSA-N
XLogP2.59
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447259
1-[[5-(2-chlorophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434568
1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115451936
1-[[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447209
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102923004
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
1-[[5-(furan-3-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437088
1-[[5-(6-methyl-4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 136812897
4-[(5-phenyltetrazol-1-yl)methyl]oxane-4-carboxylic acid
CID 115440727
1-[[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 107995350
1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312649
1-[[5-(2-chlorofuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 106690601

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid (CID 115434677) is 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2-c2ccccc2I)CCCC1.
What is the InChIKey of 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SDMPKKKTHQFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4O2/c15-11-6-2-1-5-10(11)12-16-17-18-19(12)9-14(13(20)21)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,20,21).
What are the key properties of 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 398.20 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).