2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid

C14H16N4O4 — CID 5303488

IUPAC2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid
SMILESC=CCOc1ccc(-c2nnn(CC(=O)O)n2)cc1OCC
InChIInChI=1S/C14H16N4O4/c1-3-7-22-11-6-5-10(8-12(11)21-4-2)14-15-17-18(16-14)9-13(19)20/h3,5-6,8H,1,4,7,9H2,2H3,(H,19,20)
InChIKeyOGDPTMFLNBQYIP-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.39
Rot. Bonds8

About 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid

2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid (PubChem CID 5303488) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid
PubChem CID5303488
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid
SMILESC=CCOc1ccc(-c2nnn(CC(=O)O)n2)cc1OCC
InChIInChI=1S/C14H16N4O4/c1-3-7-22-11-6-5-10(8-12(11)21-4-2)14-15-17-18(16-14)9-13(19)20/h3,5-6,8H,1,4,7,9H2,2H3,(H,19,20)
InChIKeyOGDPTMFLNBQYIP-UHFFFAOYSA-N
XLogP1.39
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic 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

2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetamide
CID 17046913
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 1175335
N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524048
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-(1,3-benzodioxol-5-yl)-2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 8768217
2-[(4-chlorophenyl)methyl]-5-(3-ethoxy-4-methoxyphenyl)tetrazole
CID 19798533
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524149

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid (CID 5303488) is 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid is C=CCOc1ccc(-c2nnn(CC(=O)O)n2)cc1OCC.
What is the InChIKey of 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid?
The InChIKey is OGDPTMFLNBQYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-3-7-22-11-6-5-10(8-12(11)21-4-2)14-15-17-18(16-14)9-13(19)20/h3,5-6,8H,1,4,7,9H2,2H3,(H,19,20).
What are the key properties of 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid?
2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid has a molecular weight of 304.31 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethoxy-4-prop-2-enoxyphenyl)tetrazol-2-yl]acetic acid is sourced from PubChem (CID 5303488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).