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

C6H10N4O3 — CID 84758866

IUPAC3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nnnn1CCO
InChIInChI=1S/C6H10N4O3/c11-4-3-10-5(7-8-9-10)1-2-6(12)13/h11H,1-4H2,(H,12,13)
InChIKeyHHAWTAIGKWAITK-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.32
Rot. Bonds5

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

3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid (PubChem CID 84758866) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
PubChem CID84758866
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1nnnn1CCO
InChIInChI=1S/C6H10N4O3/c11-4-3-10-5(7-8-9-10)1-2-6(12)13/h11H,1-4H2,(H,12,13)
InChIKeyHHAWTAIGKWAITK-UHFFFAOYSA-N
XLogP-1.32
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid?
The IUPAC name of 3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid (CID 84758866) is 3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid is O=C(O)CCc1nnnn1CCO.
What is the InChIKey of 3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid?
The InChIKey is HHAWTAIGKWAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c11-4-3-10-5(7-8-9-10)1-2-6(12)13/h11H,1-4H2,(H,12,13).
What are the key properties of 3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid?
3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid is sourced from PubChem (CID 84758866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).