2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid

C10H16N4O3 — CID 66041604

IUPAC2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1C1CCCOC1
InChIInChI=1S/C10H16N4O3/c1-10(2,9(15)16)14-8(11-12-13-14)7-4-3-5-17-6-7/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyQBPNQVGCRXIGPQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.39
Rot. Bonds3

About 2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid

2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66041604) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid
PubChem CID66041604
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1C1CCCOC1
InChIInChI=1S/C10H16N4O3/c1-10(2,9(15)16)14-8(11-12-13-14)7-4-3-5-17-6-7/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyQBPNQVGCRXIGPQ-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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Related Compounds

2-Methyl-2-(5-pentan-2-yltetrazol-1-yl)propanoic acid
CID 66040601
2-Methyl-2-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid
CID 66040800
2-Methyl-2-[5-(oxan-2-yl)tetrazol-1-yl]propanoic acid
CID 66041193
2-Methyl-2-[5-(2,4,5-trimethyloxolan-3-yl)tetrazol-1-yl]propanoic acid
CID 66041195
2-Methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid
CID 66041805
2-Methyl-2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid
CID 66041999
2-Methyl-2-[5-(oxolan-3-yl)tetrazol-1-yl]propanoic acid
CID 66042200
2-[5-(Oxan-3-yl)tetrazol-1-yl]acetic acid
CID 66042373
2-Methyl-2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid
CID 66042798
2-[5-(2-Ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043004
2-[5-(Oxan-3-yl)tetrazol-1-yl]propanoic acid
CID 66043191
2-Methyl-2-[5-(2-propoxyethyl)tetrazol-1-yl]propanoic acid
CID 66043601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid (CID 66041604) is 2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1nnnc1C1CCCOC1.
What is the InChIKey of 2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is QBPNQVGCRXIGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,9(15)16)14-8(11-12-13-14)7-4-3-5-17-6-7/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-[5-(oxan-3-yl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(oxan-3-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-3-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).