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

C10H16N4O3 — CID 66042009

IUPAC3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1CCC1CCCO1
InChIInChI=1S/C10H16N4O3/c15-10(16)5-6-14-9(11-12-13-14)4-3-8-2-1-7-17-8/h8H,1-7H2,(H,15,16)
InChIKeyBNQQGWXLKLKRQS-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.26
Rot. Bonds6

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

3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (PubChem CID 66042009) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
PubChem CID66042009
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1CCC1CCCO1
InChIInChI=1S/C10H16N4O3/c15-10(16)5-6-14-9(11-12-13-14)4-3-8-2-1-7-17-8/h8H,1-7H2,(H,15,16)
InChIKeyBNQQGWXLKLKRQS-UHFFFAOYSA-N
XLogP0.26
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (CID 66042009) is 3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is O=C(O)CCn1nnnc1CCC1CCCO1.
What is the InChIKey of 3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The InChIKey is BNQQGWXLKLKRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-10(16)5-6-14-9(11-12-13-14)4-3-8-2-1-7-17-8/h8H,1-7H2,(H,15,16).
What are the key properties of 3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66042009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).