2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid

C13H18N4O3 — CID 79810082

IUPAC2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid
SMILESCCc1ccc(-c2nnnn2C(CC)(CC)C(=O)O)o1
InChIInChI=1S/C13H18N4O3/c1-4-9-7-8-10(20-9)11-14-15-16-17(11)13(5-2,6-3)12(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyCRQPIRFXZXERQV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.10
Rot. Bonds6

About 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid

2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 79810082) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID79810082
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid
SMILESCCc1ccc(-c2nnnn2C(CC)(CC)C(=O)O)o1
InChIInChI=1S/C13H18N4O3/c1-4-9-7-8-10(20-9)11-14-15-16-17(11)13(5-2,6-3)12(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyCRQPIRFXZXERQV-UHFFFAOYSA-N
XLogP2.10
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid
CID 79809564
2-ethyl-2-[5-(3-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 79809118
2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
CID 79809215
2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid
CID 79813162
2-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 81252312
2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
CID 79809910
[5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate
CID 19427323
2-[[5-(5-ethylfuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392809
2-(benzotriazol-1-yl)-2-ethylbutanoic acid
CID 82152137
2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid
CID 79810180
2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid
CID 79809912
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369795

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid (CID 79810082) is 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid is CCc1ccc(-c2nnnn2C(CC)(CC)C(=O)O)o1.
What is the InChIKey of 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is CRQPIRFXZXERQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-4-9-7-8-10(20-9)11-14-15-16-17(11)13(5-2,6-3)12(18)19/h7-8H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid?
2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79810082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).