2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid

C8H12N4O3 — CID 66041165

IUPAC2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CC1CCCO1
InChIInChI=1S/C8H12N4O3/c13-8(14)5-12-7(9-10-11-12)4-6-2-1-3-15-6/h6H,1-5H2,(H,13,14)
InChIKeySBMCDRUBKLWHII-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.52
Rot. Bonds4

About 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid

2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid (PubChem CID 66041165) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid
PubChem CID66041165
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CC1CCCO1
InChIInChI=1S/C8H12N4O3/c13-8(14)5-12-7(9-10-11-12)4-6-2-1-3-15-6/h6H,1-5H2,(H,13,14)
InChIKeySBMCDRUBKLWHII-UHFFFAOYSA-N
XLogP-0.52
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(Oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid
CID 66040581
2-[5-[2-(Oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid
CID 66041361
2-[5-(Oxan-2-yl)tetrazol-1-yl]acetic acid
CID 66041363
2-[5-(Oxolan-3-yl)tetrazol-1-yl]acetic acid
CID 66041365
3-[5-(Oxolan-2-yl)tetrazol-1-yl]propanoic acid
CID 66041414
2-[5-(2,4,5-Trimethyloxolan-3-yl)tetrazol-1-yl]acetic acid
CID 66041565
2-[5-(Oxolan-2-yl)tetrazol-1-yl]acetic acid
CID 66041573
2-Methyl-2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid
CID 66041999
3-[5-[2-(Oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66042009
3-[5-(Oxan-2-yl)tetrazol-1-yl]propanoic acid
CID 66042011
2-[5-(Oxolan-2-yl)tetrazol-1-yl]propanoic acid
CID 66042190
3-[5-(Oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid
CID 66042416

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid (CID 66041165) is 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1CC1CCCO1.
What is the InChIKey of 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid?
The InChIKey is SBMCDRUBKLWHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-8(14)5-12-7(9-10-11-12)4-6-2-1-3-15-6/h6H,1-5H2,(H,13,14).
What are the key properties of 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid?
2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid has a molecular weight of 212.21 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66041165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).