2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid

C12H20N4O3 — CID 66041195

IUPAC2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid
SMILESCC1OC(C)C(c2nnnn2C(C)(C)C(=O)O)C1C
InChIInChI=1S/C12H20N4O3/c1-6-7(2)19-8(3)9(6)10-13-14-15-16(10)12(4,5)11(17)18/h6-9H,1-5H3,(H,17,18)
InChIKeyUCROMQKOXJHENE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.02
Rot. Bonds3

About 2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid

2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66041195) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid
PubChem CID66041195
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid
SMILESCC1OC(C)C(c2nnnn2C(C)(C)C(=O)O)C1C
InChIInChI=1S/C12H20N4O3/c1-6-7(2)19-8(3)9(6)10-13-14-15-16(10)12(4,5)11(17)18/h6-9H,1-5H3,(H,17,18)
InChIKeyUCROMQKOXJHENE-UHFFFAOYSA-N
XLogP1.02
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.02
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-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid (CID 66041195) is 2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid is CC1OC(C)C(c2nnnn2C(C)(C)C(=O)O)C1C.
What is the InChIKey of 2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is UCROMQKOXJHENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-6-7(2)19-8(3)9(6)10-13-14-15-16(10)12(4,5)11(17)18/h6-9H,1-5H3,(H,17,18).
What are the key properties of 2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 268.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).