2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid

C11H12N4O3 — CID 746025

IUPAC2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
SMILESCOc1ccc(Cc2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C11H12N4O3/c1-18-9-4-2-8(3-5-9)6-10-12-14-15(13-10)7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyLNAQQMLPTPYGOS-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.36
Rot. Bonds5

About 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid

2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid (PubChem CID 746025) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
PubChem CID746025
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
SMILESCOc1ccc(Cc2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C11H12N4O3/c1-18-9-4-2-8(3-5-9)6-10-12-14-15(13-10)7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyLNAQQMLPTPYGOS-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid
CID 134572293
2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820058
2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820053
1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone
CID 134909719
2-[4-chloro-3-[(4-methoxyphenyl)methyl]pyrazol-1-yl]acetic acid
CID 57115089
S-[2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl] ethanethioate
CID 176706608
2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 61373629
2-ethyl-5-[(4-phenylmethoxyphenyl)methyl]tetrazole
CID 68649972
[5-[(4-methylphenyl)methyl]tetrazol-2-yl]methanol
CID 149167429
4-[(2-ethyltetrazol-5-yl)methyl]phenol
CID 68649637
(E)-2-fluoro-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]prop-2-enoic acid
CID 139773562
2-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 55152146

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid (CID 746025) is 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid is COc1ccc(Cc2nnn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid?
The InChIKey is LNAQQMLPTPYGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-18-9-4-2-8(3-5-9)6-10-12-14-15(13-10)7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid?
2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 746025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).