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

C10H16N4O3 — CID 66042573

IUPAC2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CCC1CCCCO1
InChIInChI=1S/C10H16N4O3/c15-10(16)7-14-9(11-12-13-14)5-4-8-3-1-2-6-17-8/h8H,1-7H2,(H,15,16)
InChIKeyRCPGAMQOUQNLTJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.26
Rot. Bonds5

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

2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid (PubChem CID 66042573) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid
PubChem CID66042573
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CCC1CCCCO1
InChIInChI=1S/C10H16N4O3/c15-10(16)7-14-9(11-12-13-14)5-4-8-3-1-2-6-17-8/h8H,1-7H2,(H,15,16)
InChIKeyRCPGAMQOUQNLTJ-UHFFFAOYSA-N
XLogP0.26
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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 2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid (CID 66042573) is 2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1CCC1CCCCO1.
What is the InChIKey of 2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid?
The InChIKey is RCPGAMQOUQNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-10(16)7-14-9(11-12-13-14)5-4-8-3-1-2-6-17-8/h8H,1-7H2,(H,15,16).
What are the key properties of 2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid?
2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(oxan-2-yl)ethyl]tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66042573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).