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

C9H16N4O4S — CID 79810180

IUPAC2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1CS(C)(=O)=O
InChIInChI=1S/C9H16N4O4S/c1-4-9(5-2,8(14)15)13-7(10-11-12-13)6-18(3,16)17/h4-6H2,1-3H3,(H,14,15)
InChIKeyYEYYQZSWOCNPBX-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.18
Rot. Bonds6

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

2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid (PubChem CID 79810180) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid
PubChem CID79810180
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Name2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1CS(C)(=O)=O
InChIInChI=1S/C9H16N4O4S/c1-4-9(5-2,8(14)15)13-7(10-11-12-13)6-18(3,16)17/h4-6H2,1-3H3,(H,14,15)
InChIKeyYEYYQZSWOCNPBX-UHFFFAOYSA-N
XLogP-0.18
TPSA115.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 79809905
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-(benzotriazol-1-yl)-2-ethylbutanoic acid
CID 82152137
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-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid (CID 79810180) is 2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid is CCC(CC)(C(=O)O)n1nnnc1CS(C)(=O)=O.
What is the InChIKey of 2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is YEYYQZSWOCNPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-4-9(5-2,8(14)15)13-7(10-11-12-13)6-18(3,16)17/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid?
2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 276.32 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79810180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).