3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid

C12H20N4O3 — CID 103167363

IUPAC3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid
SMILESCCOC1CC(Cc2nnnn2C(C)CC(=O)O)C1
InChIInChI=1S/C12H20N4O3/c1-3-19-10-5-9(6-10)7-11-13-14-15-16(11)8(2)4-12(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyDZHUKHXGZHIXDA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.07
Rot. Bonds7

About 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid

3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid (PubChem CID 103167363) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid
PubChem CID103167363
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid
SMILESCCOC1CC(Cc2nnnn2C(C)CC(=O)O)C1
InChIInChI=1S/C12H20N4O3/c1-3-19-10-5-9(6-10)7-11-13-14-15-16(11)8(2)4-12(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyDZHUKHXGZHIXDA-UHFFFAOYSA-N
XLogP1.07
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[(3-ethoxycyclobutyl)methyl]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 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid (CID 103167363) is 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid is CCOC1CC(Cc2nnnn2C(C)CC(=O)O)C1.
What is the InChIKey of 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid?
The InChIKey is DZHUKHXGZHIXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-19-10-5-9(6-10)7-11-13-14-15-16(11)8(2)4-12(17)18/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid?
3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid has a molecular weight of 268.32 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-ethoxycyclobutyl)methyl]tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 103167363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).