2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid

C11H20N4O3 — CID 79809905

IUPAC2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid
SMILESCCOCCc1nnnn1C(CC)(CC)C(=O)O
InChIInChI=1S/C11H20N4O3/c1-4-11(5-2,10(16)17)15-9(12-13-14-15)7-8-18-6-3/h4-8H2,1-3H3,(H,16,17)
InChIKeyBCSMXRAISDCPDT-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.85
Rot. Bonds8

About 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid

2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid (PubChem CID 79809905) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid
PubChem CID79809905
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid
SMILESCCOCCc1nnnn1C(CC)(CC)C(=O)O
InChIInChI=1S/C11H20N4O3/c1-4-11(5-2,10(16)17)15-9(12-13-14-15)7-8-18-6-3/h4-8H2,1-3H3,(H,16,17)
InChIKeyBCSMXRAISDCPDT-UHFFFAOYSA-N
XLogP0.85
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 79789447
2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
CID 79809215
2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid
CID 79809912
2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid
CID 79810180
2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
CID 79809910
2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid
CID 102922998
2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid
CID 79809564
2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid
CID 79810082
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 79813158
2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid
CID 79810085
2-ethyl-2-[5-(3-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 79809118
2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid
CID 79813162

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid?
The IUPAC name of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid (CID 79809905) is 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid is CCOCCc1nnnn1C(CC)(CC)C(=O)O.
What is the InChIKey of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid?
The InChIKey is BCSMXRAISDCPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-4-11(5-2,10(16)17)15-9(12-13-14-15)7-8-18-6-3/h4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid?
2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid has a molecular weight of 256.31 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid is sourced from PubChem (CID 79809905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).