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

C8H14N4O3 — CID 103028682

IUPAC2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid
SMILESCOC(C)(C)c1nnnn1C(C)C(=O)O
InChIInChI=1S/C8H14N4O3/c1-5(6(13)14)12-7(9-10-11-12)8(2,3)15-4/h5H,1-4H3,(H,13,14)
InChIKeyLXOBAKYKZVRJDG-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.20
Rot. Bonds4

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

2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid (PubChem CID 103028682) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid
PubChem CID103028682
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid
SMILESCOC(C)(C)c1nnnn1C(C)C(=O)O
InChIInChI=1S/C8H14N4O3/c1-5(6(13)14)12-7(9-10-11-12)8(2,3)15-4/h5H,1-4H3,(H,13,14)
InChIKeyLXOBAKYKZVRJDG-UHFFFAOYSA-N
XLogP0.20
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid (CID 103028682) is 2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid is COC(C)(C)c1nnnn1C(C)C(=O)O.
What is the InChIKey of 2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is LXOBAKYKZVRJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(6(13)14)12-7(9-10-11-12)8(2,3)15-4/h5H,1-4H3,(H,13,14).
What are the key properties of 2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid?
2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 103028682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).