2-(5-cyclopropyltetrazol-1-yl)propanoic acid

C7H10N4O2 — CID 66042385

IUPAC2-(5-cyclopropyltetrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nnnc1C1CC1
InChIInChI=1S/C7H10N4O2/c1-4(7(12)13)11-6(5-2-3-5)8-9-10-11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyCKWIUXGEBSKSJY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.20
Rot. Bonds3

About 2-(5-cyclopropyltetrazol-1-yl)propanoic acid

2-(5-cyclopropyltetrazol-1-yl)propanoic acid (PubChem CID 66042385) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(5-cyclopropyltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-cyclopropyltetrazol-1-yl)propanoic acid
PubChem CID66042385
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(5-cyclopropyltetrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nnnc1C1CC1
InChIInChI=1S/C7H10N4O2/c1-4(7(12)13)11-6(5-2-3-5)8-9-10-11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyCKWIUXGEBSKSJY-UHFFFAOYSA-N
XLogP0.20
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-(5-cyclopropyltetrazol-1-yl)propanoic acid (CID 66042385) is 2-(5-cyclopropyltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-cyclopropyltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5-cyclopropyltetrazol-1-yl)propanoic acid is CC(C(=O)O)n1nnnc1C1CC1.
What is the InChIKey of 2-(5-cyclopropyltetrazol-1-yl)propanoic acid?
The InChIKey is CKWIUXGEBSKSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-4(7(12)13)11-6(5-2-3-5)8-9-10-11/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(5-cyclopropyltetrazol-1-yl)propanoic acid?
2-(5-cyclopropyltetrazol-1-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66042385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).