5-(5-methyltetrazol-1-yl)pentanoic acid

C7H12N4O2 — CID 13103365

IUPAC5-(5-methyltetrazol-1-yl)pentanoic acid
SMILESCc1nnnn1CCCCC(=O)O
InChIInChI=1S/C7H12N4O2/c1-6-8-9-10-11(6)5-3-2-4-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyCFMCPVWGJMTKMU-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.24
Rot. Bonds5

About 5-(5-methyltetrazol-1-yl)pentanoic acid

5-(5-methyltetrazol-1-yl)pentanoic acid (PubChem CID 13103365) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-(5-methyltetrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-methyltetrazol-1-yl)pentanoic acid
PubChem CID13103365
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-(5-methyltetrazol-1-yl)pentanoic acid
SMILESCc1nnnn1CCCCC(=O)O
InChIInChI=1S/C7H12N4O2/c1-6-8-9-10-11(6)5-3-2-4-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyCFMCPVWGJMTKMU-UHFFFAOYSA-N
XLogP0.24
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyltetrazol-1-yl)pentanoic acid?
The IUPAC name of 5-(5-methyltetrazol-1-yl)pentanoic acid (CID 13103365) is 5-(5-methyltetrazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(5-methyltetrazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(5-methyltetrazol-1-yl)pentanoic acid is Cc1nnnn1CCCCC(=O)O.
What is the InChIKey of 5-(5-methyltetrazol-1-yl)pentanoic acid?
The InChIKey is CFMCPVWGJMTKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-6-8-9-10-11(6)5-3-2-4-7(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 5-(5-methyltetrazol-1-yl)pentanoic acid?
5-(5-methyltetrazol-1-yl)pentanoic acid has a molecular weight of 184.20 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyltetrazol-1-yl)pentanoic acid is sourced from PubChem (CID 13103365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).