3-(2-methylindolizin-3-yl)benzoic acid

C16H13NO2 — CID 116993636

IUPAC3-(2-methylindolizin-3-yl)benzoic acid
SMILESCc1cc2ccccn2c1-c1cccc(C(=O)O)c1
InChIInChI=1S/C16H13NO2/c1-11-9-14-7-2-3-8-17(14)15(11)12-5-4-6-13(10-12)16(18)19/h2-10H,1H3,(H,18,19)
InChIKeyZCJNQYWOXLLITA-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.61
Rot. Bonds2

About 3-(2-methylindolizin-3-yl)benzoic acid

3-(2-methylindolizin-3-yl)benzoic acid (PubChem CID 116993636) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(2-methylindolizin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-methylindolizin-3-yl)benzoic acid
PubChem CID116993636
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name3-(2-methylindolizin-3-yl)benzoic acid
SMILESCc1cc2ccccn2c1-c1cccc(C(=O)O)c1
InChIInChI=1S/C16H13NO2/c1-11-9-14-7-2-3-8-17(14)15(11)12-5-4-6-13(10-12)16(18)19/h2-10H,1H3,(H,18,19)
InChIKeyZCJNQYWOXLLITA-UHFFFAOYSA-N
XLogP3.61
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylindolizin-3-yl)benzoic 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

3-[3-(3-carboxyphenyl)-5-methylphenyl]benzoic acid
CID 163197733
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]benzoic acid
CID 68828260
3-(3-carboxyphenyl)-2,6-dimethylbenzoic acid
CID 67930218
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
3-(2,5-dimethylphenyl)benzoic acid
CID 39246828
3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54097224
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid
CID 58156745
3-(2,6-difluoro-3-methylphenyl)benzoic acid
CID 82822076
3-(2-chloro-4,5-dimethylphenyl)benzoic acid
CID 115484300

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylindolizin-3-yl)benzoic acid?
The IUPAC name of 3-(2-methylindolizin-3-yl)benzoic acid (CID 116993636) is 3-(2-methylindolizin-3-yl)benzoic acid.
What is the SMILES notation for 3-(2-methylindolizin-3-yl)benzoic acid?
The canonical SMILES for 3-(2-methylindolizin-3-yl)benzoic acid is Cc1cc2ccccn2c1-c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(2-methylindolizin-3-yl)benzoic acid?
The InChIKey is ZCJNQYWOXLLITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-9-14-7-2-3-8-17(14)15(11)12-5-4-6-13(10-12)16(18)19/h2-10H,1H3,(H,18,19).
What are the key properties of 3-(2-methylindolizin-3-yl)benzoic acid?
3-(2-methylindolizin-3-yl)benzoic acid has a molecular weight of 251.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylindolizin-3-yl)benzoic acid is sourced from PubChem (CID 116993636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).