2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid

C9H16N4O3 — CID 66043004

IUPAC2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCCOCCc1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C9H16N4O3/c1-4-16-6-5-7-10-11-12-13(7)9(2,3)8(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyOALZWOBTRFJWPS-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.07
Rot. Bonds6

About 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid

2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 66043004) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID66043004
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCCOCCc1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C9H16N4O3/c1-4-16-6-5-7-10-11-12-13(7)9(2,3)8(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyOALZWOBTRFJWPS-UHFFFAOYSA-N
XLogP0.07
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 66043004) is 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid is CCOCCc1nnnn1C(C)(C)C(=O)O.
What is the InChIKey of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is OALZWOBTRFJWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-4-16-6-5-7-10-11-12-13(7)9(2,3)8(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 66043004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).