3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid

C11H12N4O3 — CID 860833

IUPAC3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
SMILESCOc1ccc(-c2nnn(CCC(=O)O)n2)cc1
InChIInChI=1S/C11H12N4O3/c1-18-9-4-2-8(3-5-9)11-12-14-15(13-11)7-6-10(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyAQBCJXRDQZRIPB-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.82
Rot. Bonds5

About 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid

3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid (PubChem CID 860833) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
PubChem CID860833
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
SMILESCOc1ccc(-c2nnn(CCC(=O)O)n2)cc1
InChIInChI=1S/C11H12N4O3/c1-18-9-4-2-8(3-5-9)11-12-14-15(13-11)7-6-10(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyAQBCJXRDQZRIPB-UHFFFAOYSA-N
XLogP0.82
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid
CID 119089174
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
CID 1150139
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 1150140
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate
CID 1150142
1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine
CID 3074470
methyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 647427
1-(2-carboxyethyl)-5-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 82209012
2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid
CID 1134074
2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 18286516
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1465884
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid (CID 860833) is 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid is COc1ccc(-c2nnn(CCC(=O)O)n2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid?
The InChIKey is AQBCJXRDQZRIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-18-9-4-2-8(3-5-9)11-12-14-15(13-11)7-6-10(16)17/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid?
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid has a molecular weight of 248.24 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid is sourced from PubChem (CID 860833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).