2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid

C6H10N4O3S — CID 107051987

IUPAC2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid
SMILESCC(C(=O)O)S(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H10N4O3S/c1-4(6(11)12)14(13)3-5-7-9-10(2)8-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyRALVOJHBAJSLKV-UHFFFAOYSA-N
MW218.24 g/mol
LogP-1.07
Rot. Bonds4

About 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid

2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid (PubChem CID 107051987) has the molecular formula C6H10N4O3S and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid
PubChem CID107051987
Molecular FormulaC6H10N4O3S
Molecular Weight218.24 g/mol
Exact Mass218.05
IUPAC Name2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid
SMILESCC(C(=O)O)S(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H10N4O3S/c1-4(6(11)12)14(13)3-5-7-9-10(2)8-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyRALVOJHBAJSLKV-UHFFFAOYSA-N
XLogP-1.07
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid (CID 107051987) is 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid is CC(C(=O)O)S(=O)Cc1nnn(C)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid?
The InChIKey is RALVOJHBAJSLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S/c1-4(6(11)12)14(13)3-5-7-9-10(2)8-5/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid?
2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid has a molecular weight of 218.24 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methylsulfinyl]propanoic acid is sourced from PubChem (CID 107051987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).