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

C12H20N4O3 — CID 66041803

IUPAC2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1CCC1CCCCO1
InChIInChI=1S/C12H20N4O3/c1-12(2,11(17)18)16-10(13-14-15-16)7-6-9-5-3-4-8-19-9/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyAEZUSRNDFQTUEK-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.99
Rot. Bonds5

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

2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (PubChem CID 66041803) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
PubChem CID66041803
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1CCC1CCCCO1
InChIInChI=1S/C12H20N4O3/c1-12(2,11(17)18)16-10(13-14-15-16)7-6-9-5-3-4-8-19-9/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyAEZUSRNDFQTUEK-UHFFFAOYSA-N
XLogP0.99
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-Heptyltetrazol-1-yl)-2-methylpropanoic acid
CID 66040793
2-Methyl-2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66040993
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-octyltetrazol-1-yl)propanoic acid
CID 66041800
2-Methyl-2-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid
CID 66041805
2-Methyl-2-(5-nonyltetrazol-1-yl)propanoic acid
CID 66041994
2-Methyl-2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid
CID 66041999
2-[5-[2-(Oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid
CID 66042573
2-[5-[2-(Oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66042779
2-[5-[2-(Oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66043390
2-Methyl-3-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66043880

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (CID 66041803) is 2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is CC(C)(C(=O)O)n1nnnc1CCC1CCCCO1.
What is the InChIKey of 2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The InChIKey is AEZUSRNDFQTUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2,11(17)18)16-10(13-14-15-16)7-6-9-5-3-4-8-19-9/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.99, 5 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-(oxan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).