3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid

C13H16N4O4 — CID 3292497

IUPAC3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)n2cnnn2)cc1OC
InChIInChI=1S/C13H16N4O4/c1-3-21-11-5-4-9(6-12(11)20-2)10(7-13(18)19)17-8-14-15-16-17/h4-6,8,10H,3,7H2,1-2H3,(H,18,19)
InChIKeyCYGRULHXEUHNCF-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.14
Rot. Bonds7

About 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid

3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid (PubChem CID 3292497) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid
PubChem CID3292497
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)n2cnnn2)cc1OC
InChIInChI=1S/C13H16N4O4/c1-3-21-11-5-4-9(6-12(11)20-2)10(7-13(18)19)17-8-14-15-16-17/h4-6,8,10H,3,7H2,1-2H3,(H,18,19)
InChIKeyCYGRULHXEUHNCF-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-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

Related Compounds

Sbb002918
CID 3687816
3-(4-isopropoxy-3-methoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid
CID 4255223
3-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid
CID 4912749
1-{7-[3-Methoxy-4-(pentyloxy)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethanone
CID 2792917
Butyl 7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3242318
1-[7-(3-Ethoxy-4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 4085895
Butyl 7-(4-ethoxy-3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3242930
3-(4-Methoxyphenyl)-3-(1H-tetrazol-1-yl)propanoic acid hydrochloride
CID 16187972
Benzyl 7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2983950
3-(4-Methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid
CID 4912757
benzyl (S)-4-[4-(benzyloxy)-3-methoxyphenyl]-6-methyl-1,3,3a,7-tetraaza-4,7-dihydro-5-indenecarboxylate
CID 136828845
Ethyl 7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxylate
CID 4165151

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid (CID 3292497) is 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid is CCOc1ccc(C(CC(=O)O)n2cnnn2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid?
The InChIKey is CYGRULHXEUHNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-21-11-5-4-9(6-12(11)20-2)10(7-13(18)19)17-8-14-15-16-17/h4-6,8,10H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid?
3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid has a molecular weight of 292.30 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-3-(tetrazol-1-yl)propanoic acid is sourced from PubChem (CID 3292497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).