2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid

C16H22N4O3 — CID 134572293

IUPAC2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid
SMILESCOc1ccc(Cc2nnn(CC(=O)O)n2)cc1CC(C)(C)C
InChIInChI=1S/C16H22N4O3/c1-16(2,3)9-12-7-11(5-6-13(12)23-4)8-14-17-19-20(18-14)10-15(21)22/h5-7H,8-10H2,1-4H3,(H,21,22)
InChIKeyNLTXQLGBWYTXRO-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.95
Rot. Bonds6

About 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid

2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid (PubChem CID 134572293) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid
PubChem CID134572293
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid
SMILESCOc1ccc(Cc2nnn(CC(=O)O)n2)cc1CC(C)(C)C
InChIInChI=1S/C16H22N4O3/c1-16(2,3)9-12-7-11(5-6-13(12)23-4)8-14-17-19-20(18-14)10-15(21)22/h5-7H,8-10H2,1-4H3,(H,21,22)
InChIKeyNLTXQLGBWYTXRO-UHFFFAOYSA-N
XLogP1.95
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4-methoxyphenyl)methyl]tetrazol-2-yl]acetic acid
CID 746025
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]propanoic acid
CID 117379442
2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820058
3-amino-4-(5-ethyl-2-methoxyphenyl)-3-methylbutanoic acid
CID 112514639
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9082707
2-[3-(iodomethyl)-4-methoxyphenyl]acetic acid
CID 147269305
2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
CID 1209089
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 94258956
ethyl 3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63357944
5-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117487199

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid (CID 134572293) is 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid is COc1ccc(Cc2nnn(CC(=O)O)n2)cc1CC(C)(C)C.
What is the InChIKey of 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid?
The InChIKey is NLTXQLGBWYTXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)9-12-7-11(5-6-13(12)23-4)8-14-17-19-20(18-14)10-15(21)22/h5-7H,8-10H2,1-4H3,(H,21,22).
What are the key properties of 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid?
2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid has a molecular weight of 318.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 134572293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).