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

C9H14N4O3 — CID 66040800

IUPAC2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1C1CCCO1
InChIInChI=1S/C9H14N4O3/c1-9(2,8(14)15)13-7(10-11-12-13)6-4-3-5-16-6/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyRIVLILYEVUUELP-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.34
Rot. Bonds3

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

2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66040800) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid
PubChem CID66040800
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1C1CCCO1
InChIInChI=1S/C9H14N4O3/c1-9(2,8(14)15)13-7(10-11-12-13)6-4-3-5-16-6/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyRIVLILYEVUUELP-UHFFFAOYSA-N
XLogP0.34
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.34
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-(oxolan-2-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid (CID 66040800) is 2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1nnnc1C1CCCO1.
What is the InChIKey of 2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is RIVLILYEVUUELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-9(2,8(14)15)13-7(10-11-12-13)6-4-3-5-16-6/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 226.24 g/mol, XLogP of 0.34, 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-(oxolan-2-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66040800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).