2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid

C13H14N4O2 — CID 66395987

IUPAC2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1C1Cc2ccccc21
InChIInChI=1S/C13H14N4O2/c1-13(2,12(18)19)17-11(14-15-16-17)10-7-8-5-3-4-6-9(8)10/h3-6,10H,7H2,1-2H3,(H,18,19)
InChIKeyKVGZPSPUEKCFTL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.18
Rot. Bonds3

About 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid

2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 66395987) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID66395987
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1C1Cc2ccccc21
InChIInChI=1S/C13H14N4O2/c1-13(2,12(18)19)17-11(14-15-16-17)10-7-8-5-3-4-6-9(8)10/h3-6,10H,7H2,1-2H3,(H,18,19)
InChIKeyKVGZPSPUEKCFTL-UHFFFAOYSA-N
XLogP1.18
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic 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

4-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071658
4-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160559
2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
CID 15007312
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040798
2-[[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392647
2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid
CID 84759126
2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123559
1-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 57259590
2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043608
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982498
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethylbutanoic acid
CID 83147914
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258

Frequently Asked Questions

What is the IUPAC name of 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 66395987) is 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1nnnc1C1Cc2ccccc21.
What is the InChIKey of 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is KVGZPSPUEKCFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(2,12(18)19)17-11(14-15-16-17)10-7-8-5-3-4-6-9(8)10/h3-6,10H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 66395987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).