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

C8H12N4O3 — CID 66041414

IUPAC3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1C1CCCO1
InChIInChI=1S/C8H12N4O3/c13-7(14)3-4-12-8(9-10-11-12)6-2-1-5-15-6/h6H,1-5H2,(H,13,14)
InChIKeyBYPFNQCMIOSWQO-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.00
Rot. Bonds4

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

3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66041414) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid
PubChem CID66041414
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1C1CCCO1
InChIInChI=1S/C8H12N4O3/c13-7(14)3-4-12-8(9-10-11-12)6-2-1-5-15-6/h6H,1-5H2,(H,13,14)
InChIKeyBYPFNQCMIOSWQO-UHFFFAOYSA-N
XLogP-0.00
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 ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid (CID 66041414) is 3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid is O=C(O)CCn1nnnc1C1CCCO1.
What is the InChIKey of 3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is BYPFNQCMIOSWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-7(14)3-4-12-8(9-10-11-12)6-2-1-5-15-6/h6H,1-5H2,(H,13,14).
What are the key properties of 3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid?
3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 212.21 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxolan-2-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).