4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid

C11H21N5O2 — CID 139677830

IUPAC4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid
SMILESCCN(CC)CCc1nnnn1CCCC(=O)O
InChIInChI=1S/C11H21N5O2/c1-3-15(4-2)9-7-10-12-13-14-16(10)8-5-6-11(17)18/h3-9H2,1-2H3,(H,17,18)
InChIKeyQYPUIBSTYICPKP-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.42
Rot. Bonds9

About 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid

4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid (PubChem CID 139677830) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid
PubChem CID139677830
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid
SMILESCCN(CC)CCc1nnnn1CCCC(=O)O
InChIInChI=1S/C11H21N5O2/c1-3-15(4-2)9-7-10-12-13-14-16(10)8-5-6-11(17)18/h3-9H2,1-2H3,(H,17,18)
InChIKeyQYPUIBSTYICPKP-UHFFFAOYSA-N
XLogP0.42
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic 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 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid (CID 139677830) is 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid is CCN(CC)CCc1nnnn1CCCC(=O)O.
What is the InChIKey of 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid?
The InChIKey is QYPUIBSTYICPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-15(4-2)9-7-10-12-13-14-16(10)8-5-6-11(17)18/h3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid?
4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid has a molecular weight of 255.32 g/mol, XLogP of 0.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 139677830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).