3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid

C5H7N5O2 — CID 67107417

IUPAC3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(c2nn[nH]n2)C1
InChIInChI=1S/C5H7N5O2/c11-5(12)10-1-3(2-10)4-6-8-9-7-4/h3H,1-2H2,(H,11,12)(H,6,7,8,9)
InChIKeyQFHDBJMMIPVULF-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.72
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid

3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid (PubChem CID 67107417) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid
PubChem CID67107417
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(c2nn[nH]n2)C1
InChIInChI=1S/C5H7N5O2/c11-5(12)10-1-3(2-10)4-6-8-9-7-4/h3H,1-2H2,(H,11,12)(H,6,7,8,9)
InChIKeyQFHDBJMMIPVULF-UHFFFAOYSA-N
XLogP-0.72
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid (CID 67107417) is 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid is O=C(O)N1CC(c2nn[nH]n2)C1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid?
The InChIKey is QFHDBJMMIPVULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c11-5(12)10-1-3(2-10)4-6-8-9-7-4/h3H,1-2H2,(H,11,12)(H,6,7,8,9).
What are the key properties of 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid?
3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid is sourced from PubChem (CID 67107417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).