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

C11H14N4O3 — CID 79809564

IUPAC2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1ccco1
InChIInChI=1S/C11H14N4O3/c1-3-11(4-2,10(16)17)15-9(12-13-14-15)8-6-5-7-18-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeySGMKEDRYHXDDFS-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.53
Rot. Bonds5

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

2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 79809564) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID79809564
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1ccco1
InChIInChI=1S/C11H14N4O3/c1-3-11(4-2,10(16)17)15-9(12-13-14-15)8-6-5-7-18-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeySGMKEDRYHXDDFS-UHFFFAOYSA-N
XLogP1.53
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid (CID 79809564) is 2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid is CCC(CC)(C(=O)O)n1nnnc1-c1ccco1.
What is the InChIKey of 2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is SGMKEDRYHXDDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-11(4-2,10(16)17)15-9(12-13-14-15)8-6-5-7-18-8/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid?
2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 250.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79809564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).