3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid

C13H11N5O2 — CID 66043212

IUPAC3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1nnnc1-c1ccc2ccccc2n1
InChIInChI=1S/C13H11N5O2/c19-12(20)7-8-18-13(15-16-17-18)11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8H2,(H,19,20)
InChIKeyYONIFVPDNITYMU-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.36
Rot. Bonds4

About 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid

3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid (PubChem CID 66043212) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid
PubChem CID66043212
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1nnnc1-c1ccc2ccccc2n1
InChIInChI=1S/C13H11N5O2/c19-12(20)7-8-18-13(15-16-17-18)11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8H2,(H,19,20)
InChIKeyYONIFVPDNITYMU-UHFFFAOYSA-N
XLogP1.36
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-quinolin-2-yltetrazol-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

2-(5-quinolin-2-yltetrazol-1-yl)ethanamine
CID 63222687
3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123567
3-[5-(1-methylimidazol-4-yl)tetrazol-1-yl]propanoic acid
CID 107975976
3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid
CID 136742815
3-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)tetrazol-1-yl]propanoic acid
CID 66042808
3-[5-(4-bromo-3-chlorophenyl)tetrazol-1-yl]propanoic acid
CID 81308251
3-quinolin-2-ylsulfanylpropanoic acid
CID 661670
3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid
CID 113396072
4-[5-(4-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 113400421
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
CID 66040610
3-[5-(4-chlorophenyl)tetrazol-1-yl]-1-phenylpropan-1-one
CID 46890515

Frequently Asked Questions

What is the IUPAC name of 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid?
The IUPAC name of 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid (CID 66043212) is 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid is O=C(O)CCn1nnnc1-c1ccc2ccccc2n1.
What is the InChIKey of 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid?
The InChIKey is YONIFVPDNITYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-12(20)7-8-18-13(15-16-17-18)11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8H2,(H,19,20).
What are the key properties of 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid?
3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66043212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).