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

C9H14N4O3 — CID 66041361

IUPAC2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CCC1CCCO1
InChIInChI=1S/C9H14N4O3/c14-9(15)6-13-8(10-11-12-13)4-3-7-2-1-5-16-7/h7H,1-6H2,(H,14,15)
InChIKeyKBPJQYCNJVMMKU-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.13
Rot. Bonds5

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

2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid (PubChem CID 66041361) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid
PubChem CID66041361
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1CCC1CCCO1
InChIInChI=1S/C9H14N4O3/c14-9(15)6-13-8(10-11-12-13)4-3-7-2-1-5-16-7/h7H,1-6H2,(H,14,15)
InChIKeyKBPJQYCNJVMMKU-UHFFFAOYSA-N
XLogP-0.13
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid (CID 66041361) is 2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1CCC1CCCO1.
What is the InChIKey of 2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid?
The InChIKey is KBPJQYCNJVMMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-9(15)6-13-8(10-11-12-13)4-3-7-2-1-5-16-7/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid?
2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid has a molecular weight of 226.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66041361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).