3-(5-methyltetrazol-1-yl)propanoic acid

C5H8N4O2 — CID 3159645

IUPAC3-(5-methyltetrazol-1-yl)propanoic acid
SMILESCc1nnnn1CCC(=O)O
InChIInChI=1S/C5H8N4O2/c1-4-6-7-8-9(4)3-2-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyBWHMAWHZWZJDKG-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.54
Rot. Bonds3

About 3-(5-methyltetrazol-1-yl)propanoic acid

3-(5-methyltetrazol-1-yl)propanoic acid (PubChem CID 3159645) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)propanoic acid
PubChem CID3159645
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name3-(5-methyltetrazol-1-yl)propanoic acid
SMILESCc1nnnn1CCC(=O)O
InChIInChI=1S/C5H8N4O2/c1-4-6-7-8-9(4)3-2-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyBWHMAWHZWZJDKG-UHFFFAOYSA-N
XLogP-0.54
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)propanoic acid?
The IUPAC name of 3-(5-methyltetrazol-1-yl)propanoic acid (CID 3159645) is 3-(5-methyltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)propanoic acid is Cc1nnnn1CCC(=O)O.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)propanoic acid?
The InChIKey is BWHMAWHZWZJDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-4-6-7-8-9(4)3-2-5(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 3-(5-methyltetrazol-1-yl)propanoic acid?
3-(5-methyltetrazol-1-yl)propanoic acid has a molecular weight of 156.15 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 3159645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).