2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid

C15H16N4O3 — CID 139773742

IUPAC2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid
SMILESCOc1ccc(Cn2nnc(C3=C(C(=O)O)CCC3)n2)cc1
InChIInChI=1S/C15H16N4O3/c1-22-11-7-5-10(6-8-11)9-19-17-14(16-18-19)12-3-2-4-13(12)15(20)21/h5-8H,2-4,9H2,1H3,(H,20,21)
InChIKeyYDZIJLUORVTYBV-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.75
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid

2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid (PubChem CID 139773742) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid
PubChem CID139773742
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid
SMILESCOc1ccc(Cn2nnc(C3=C(C(=O)O)CCC3)n2)cc1
InChIInChI=1S/C15H16N4O3/c1-22-11-7-5-10(6-8-11)9-19-17-14(16-18-19)12-3-2-4-13(12)15(20)21/h5-8H,2-4,9H2,1H3,(H,20,21)
InChIKeyYDZIJLUORVTYBV-UHFFFAOYSA-N
XLogP1.75
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-diiodophenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773840
(E)-2-fluoro-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]prop-2-enoic acid
CID 139773562
2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 1448588
3-bromo-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine
CID 139773721
[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]boronic acid
CID 140751938
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 154467582
S-[2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl] ethanethioate
CID 176706608
1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine
CID 3074470
5-(3-ethynylphenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773547
N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 145220091
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid (CID 139773742) is 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid is COc1ccc(Cn2nnc(C3=C(C(=O)O)CCC3)n2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid?
The InChIKey is YDZIJLUORVTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-11-7-5-10(6-8-11)9-19-17-14(16-18-19)12-3-2-4-13(12)15(20)21/h5-8H,2-4,9H2,1H3,(H,20,21).
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid?
2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 139773742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).