3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid

C13H16N4O4 — CID 651755

IUPAC3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid
SMILESCCOc1ccc(-c2nnn(CCC(=O)O)n2)cc1OC
InChIInChI=1S/C13H16N4O4/c1-3-21-10-5-4-9(8-11(10)20-2)13-14-16-17(15-13)7-6-12(18)19/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyLCFQHLVODPFRSY-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.22
Rot. Bonds7

About 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid

3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid (PubChem CID 651755) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid
PubChem CID651755
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid
SMILESCCOc1ccc(-c2nnn(CCC(=O)O)n2)cc1OC
InChIInChI=1S/C13H16N4O4/c1-3-21-10-5-4-9(8-11(10)20-2)13-14-16-17(15-13)7-6-12(18)19/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyLCFQHLVODPFRSY-UHFFFAOYSA-N
XLogP1.22
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic 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-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid (CID 651755) is 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid is CCOc1ccc(-c2nnn(CCC(=O)O)n2)cc1OC.
What is the InChIKey of 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid?
The InChIKey is LCFQHLVODPFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-21-10-5-4-9(8-11(10)20-2)13-14-16-17(15-13)7-6-12(18)19/h4-5,8H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid?
3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid has a molecular weight of 292.30 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanoic acid is sourced from PubChem (CID 651755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).