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

C6H10N4O4S — CID 66040785

IUPAC2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1CS(C)(=O)=O
InChIInChI=1S/C6H10N4O4S/c1-4(6(11)12)10-5(7-8-9-10)3-15(2,13)14/h4H,3H2,1-2H3,(H,11,12)
InChIKeyVEOGFZHAHJMMSO-UHFFFAOYSA-N
MW234.24 g/mol
LogP-1.14
Rot. Bonds4

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

2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid (PubChem CID 66040785) has the molecular formula C6H10N4O4S and a molecular weight of 234.24 g/mol. Its IUPAC name is 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid
PubChem CID66040785
Molecular FormulaC6H10N4O4S
Molecular Weight234.24 g/mol
Exact Mass234.04
IUPAC Name2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1CS(C)(=O)=O
InChIInChI=1S/C6H10N4O4S/c1-4(6(11)12)10-5(7-8-9-10)3-15(2,13)14/h4H,3H2,1-2H3,(H,11,12)
InChIKeyVEOGFZHAHJMMSO-UHFFFAOYSA-N
XLogP-1.14
TPSA115.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid (CID 66040785) is 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid is CC(C(=O)O)n1nnnc1CS(C)(=O)=O.
What is the InChIKey of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is VEOGFZHAHJMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4S/c1-4(6(11)12)10-5(7-8-9-10)3-15(2,13)14/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid?
2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 234.24 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylsulfonylmethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66040785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).