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

C13H14N4O3 — CID 115451936

IUPAC1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccccc1-c1nnnn1CC1(C(=O)O)CC1
InChIInChI=1S/C13H14N4O3/c1-20-10-5-3-2-4-9(10)11-14-15-16-17(11)8-13(6-7-13)12(18)19/h2-5H,6-8H2,1H3,(H,18,19)
InChIKeySMUDZTDYLCPUGM-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.21
Rot. Bonds5

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

1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451936) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451936
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccccc1-c1nnnn1CC1(C(=O)O)CC1
InChIInChI=1S/C13H14N4O3/c1-20-10-5-3-2-4-9(10)11-14-15-16-17(11)8-13(6-7-13)12(18)19/h2-5H,6-8H2,1H3,(H,18,19)
InChIKeySMUDZTDYLCPUGM-UHFFFAOYSA-N
XLogP1.21
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(2-methoxy-5-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115452033
1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447259
1-[[5-(2-chlorophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434568
1-[[5-(4-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312688
1-[[5-(2-chloro-4-fluorophenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115451940
1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115452027
4-[(5-phenyltetrazol-1-yl)methyl]oxane-4-carboxylic acid
CID 115440727
1-[[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447209
1-[[5-(6-methyl-4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 136812897
1-[[5-(1-methylpyrazol-4-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312694
1-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311513
1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447118

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 115451936) is 1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is COc1ccccc1-c1nnnn1CC1(C(=O)O)CC1.
What is the InChIKey of 1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is SMUDZTDYLCPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-10-5-3-2-4-9(10)11-14-15-16-17(11)8-13(6-7-13)12(18)19/h2-5H,6-8H2,1H3,(H,18,19).
What are the key properties of 1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).