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

C11H12N4O4 — CID 116820058

IUPAC2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
SMILESCOc1ccccc1OCc1nnn(CC(=O)O)n1
InChIInChI=1S/C11H12N4O4/c1-18-8-4-2-3-5-9(8)19-7-10-12-14-15(13-10)6-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyWXULMKUBPXLAQB-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.35
Rot. Bonds6

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

2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid (PubChem CID 116820058) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
PubChem CID116820058
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
SMILESCOc1ccccc1OCc1nnn(CC(=O)O)n1
InChIInChI=1S/C11H12N4O4/c1-18-8-4-2-3-5-9(8)19-7-10-12-14-15(13-10)6-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyWXULMKUBPXLAQB-UHFFFAOYSA-N
XLogP0.35
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(2-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820051
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9082707
2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
CID 746025
2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid
CID 134572293
3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040946
N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9071036
2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820081
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
CID 8870849
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid (CID 116820058) is 2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid is COc1ccccc1OCc1nnn(CC(=O)O)n1.
What is the InChIKey of 2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid?
The InChIKey is WXULMKUBPXLAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-18-8-4-2-3-5-9(8)19-7-10-12-14-15(13-10)6-11(16)17/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid?
2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid has a molecular weight of 264.24 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 116820058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).