2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid

C11H18N4O3 — CID 66040993

IUPAC2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1CCC1CCCO1
InChIInChI=1S/C11H18N4O3/c1-11(2,10(16)17)15-9(12-13-14-15)6-5-8-4-3-7-18-8/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyJSEQFROSANHBOY-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.60
Rot. Bonds5

About 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid

2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (PubChem CID 66040993) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
PubChem CID66040993
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1CCC1CCCO1
InChIInChI=1S/C11H18N4O3/c1-11(2,10(16)17)15-9(12-13-14-15)6-5-8-4-3-7-18-8/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyJSEQFROSANHBOY-UHFFFAOYSA-N
XLogP0.60
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (CID 66040993) is 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1nnnc1CCC1CCCO1.
What is the InChIKey of 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The InChIKey is JSEQFROSANHBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,10(16)17)15-9(12-13-14-15)6-5-8-4-3-7-18-8/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66040993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).