2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid

C10H16N4O3 — CID 66041805

IUPAC2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1C1CCOCC1
InChIInChI=1S/C10H16N4O3/c1-10(2,9(15)16)14-8(11-12-13-14)7-3-5-17-6-4-7/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyRDTTWAOBJKDBIS-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.39
Rot. Bonds3

About 2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid

2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66041805) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid
PubChem CID66041805
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1C1CCOCC1
InChIInChI=1S/C10H16N4O3/c1-10(2,9(15)16)14-8(11-12-13-14)7-3-5-17-6-4-7/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyRDTTWAOBJKDBIS-UHFFFAOYSA-N
XLogP0.39
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.39
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-(oxan-4-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid (CID 66041805) is 2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1nnnc1C1CCOCC1.
What is the InChIKey of 2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is RDTTWAOBJKDBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,9(15)16)14-8(11-12-13-14)7-3-5-17-6-4-7/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.39, 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-(oxan-4-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).